TDR Targets

Basic information

Technical information

TDR Targets ID: 1344930
Name: 4-methyl-1-[4-(4-methylphenyl)sulfonyl-2-thio phen-2-yl-1,3-oxazol-5-yl]piperidine
MW: 402.53 | Formula: C20H22N2O3S2
H donors: 0 H acceptors: 3 LogP: 4.95 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CC1CCN(CC1)c1oc(nc1S(=O)(=O)c1ccc(cc1)C)c1cccs1
InChi: 1S/C20H22N2O3S2/c1-14-5-7-16(8-6-14)27(23,24)19-20(22-11-9-15(2)10-12-22)25-18(21-19)17-4-3-13-26-17/h3-8,13,15H,9-12H2,1-2H3
InChiKey: YZWYVJXOLNQYAA-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

4-methyl-1-[4-(4-methylphenyl)sulfonyl-2-(2-thienyl)oxazol-5-yl]piperidine
4-methyl-1-[4-(4-methylphenyl)sulfonyl-2-(2-thienyl)-5-oxazolyl]piperidine
NCGC00102249-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	bromodomain adjacent to zinc finger domain, 2B	Starlite/ChEMBL	No references
Rattus norvegicus	Inositol monophosphatase 1	Starlite/ChEMBL	No references
Homo sapiens	euchromatic histone-lysine N-methyltransferase 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania donovani	myo-inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Schistosoma japonicum	Conserved hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative	Get druggable targets OG5_126810	All targets in OG5_126810
Schistosoma mansoni	bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Leishmania braziliensis	myo-inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Brugia malayi	Bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Brugia malayi	Pre-SET motif family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Echinococcus multilocularis	inositol monophosphatase 1	Get druggable targets OG5_126810	All targets in OG5_126810
Schistosoma japonicum	Cleft lip and palate transmembrane protein 1-like protein, putative	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131570	All targets in OG5_131570
Trichomonas vaginalis	inositol monophosphatase, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Leishmania infantum	myo-inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Neospora caninum	hypothetical protein	Get druggable targets OG5_126810	All targets in OG5_126810
Trichomonas vaginalis	set domain proteins, putative	Get druggable targets OG5_131470	All targets in OG5_131470
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Onchocerca volvulus		Get druggable targets OG5_131470	All targets in OG5_131470
Leishmania mexicana	myo-inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	Get druggable targets OG5_126810	All targets in OG5_126810
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	Get druggable targets OG5_126810	All targets in OG5_126810
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Trichomonas vaginalis	myo inositol monophosphatase, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Brugia malayi	Inositol-1	Get druggable targets OG5_126810	All targets in OG5_126810
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Trypanosoma brucei gambiense	inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	Get druggable targets OG5_126810	All targets in OG5_126810
Trypanosoma congolense	inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Schistosoma mansoni	inositol monophosphatase	Get druggable targets OG5_126810	All targets in OG5_126810
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	inositol-1	Get druggable targets OG5_126810	All targets in OG5_126810
Schistosoma japonicum	ko:K01549 ATP synthase [EC3.6.3.14], putative	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma mansoni	inositol monophosphatase	Get druggable targets OG5_126810	All targets in OG5_126810
Entamoeba histolytica	myo-inositol monophosphatase, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Trichomonas vaginalis	myo inositol monophosphatase, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Mycobacterium ulcerans	extragenic suppressor protein SuhB	Get druggable targets OG5_126810	All targets in OG5_126810
Echinococcus granulosus	inositol monophosphatase 1	Get druggable targets OG5_126810	All targets in OG5_126810

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	pap-inositol-14-phosphatase	Inositol monophosphatase 1	277 aa	279 aa	22.9 %
Dictyostelium discoideum	3',5'-bisphosphate nucleotidase 1	Inositol monophosphatase 1	277 aa	275 aa	22.2 %
Trichomonas vaginalis	inositol monophosphatase, putative	Inositol monophosphatase 1	277 aa	268 aa	22.4 %
Trichomonas vaginalis	myo inositol monophosphatase, putative	Inositol monophosphatase 1	277 aa	276 aa	21.4 %
Candida albicans	one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt	Inositol monophosphatase 1	277 aa	306 aa	22.5 %
Onchocerca volvulus	Putative trans-2-enoyl-CoA reductase 1, mitochondrial	Inositol monophosphatase 1	277 aa	278 aa	23.0 %
Loa Loa (eye worm)	hypothetical protein	Inositol monophosphatase 1	277 aa	298 aa	23.8 %
Trypanosoma brucei	inositol-1(or 4)-monophosphatase, putative	Inositol monophosphatase 1	277 aa	304 aa	27.3 %
Trichomonas vaginalis	inositol monophosphatase, putative	Inositol monophosphatase 1	277 aa	258 aa	21.7 %
Trichomonas vaginalis	diphosphonucleoside phosphohydrolase, putative	Inositol monophosphatase 1	277 aa	263 aa	21.7 %
Schistosoma japonicum	ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative	Inositol monophosphatase 1	277 aa	275 aa	21.5 %
Trypanosoma brucei gambiense	inositol-1(or 4)-monophosphatase, putative	Inositol monophosphatase 1	277 aa	309 aa	27.8 %
Dictyostelium discoideum	3',5'-bisphosphate nucleotidase	Inositol monophosphatase 1	277 aa	230 aa	25.2 %
Trypanosoma cruzi	inositol polyphosphate 1-phosphatase, putative	Inositol monophosphatase 1	277 aa	291 aa	23.7 %
Entamoeba histolytica	3(2),5-bisphosphate nucleotidase, putative	Inositol monophosphatase 1	277 aa	263 aa	24.0 %
Brugia malayi	Inositol monophosphatase family protein	Inositol monophosphatase 1	277 aa	238 aa	21.8 %
Onchocerca volvulus	Putative 28S ribosomal protein S10, mitochondrial	Inositol monophosphatase 1	277 aa	271 aa	46.1 %
Entamoeba histolytica	3(2),5-bisphosphate nucleotidase, putative	Inositol monophosphatase 1	277 aa	287 aa	22.3 %
Onchocerca volvulus		Inositol monophosphatase 1	277 aa	238 aa	22.7 %
Trypanosoma congolense	inositol-1(or 4)-monophosphatase, putative	Inositol monophosphatase 1	277 aa	304 aa	28.9 %
Trypanosoma cruzi	myo-inositol-1 phosphatase, putative	Inositol monophosphatase 1	277 aa	284 aa	30.6 %
Candida albicans	one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt	Inositol monophosphatase 1	277 aa	300 aa	22.0 %
Candida albicans	one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt	Inositol monophosphatase 1	277 aa	307 aa	22.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Onchocerca volvulus		0.0573	0.5151	1
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0138	0.1088	0.1069
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0138	0.1088	0.1015
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0433	0.3844	0.4787
Entamoeba histolytica	cysteine proteinase, putative	0.0573	0.5151	1
Leishmania major	cysteine peptidase A (CPA)	0.0573	0.5151	0.6511
Echinococcus granulosus	cathepsin L	0.0319	0.2782	0.2767
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0391	0.3457	0.3403
Entamoeba histolytica	hypothetical protein	0.0138	0.1088	0.1765
Giardia lamblia	Cathepsin B precursor	0.0433	0.3844	1
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0221	0.1864	0.2814
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0319	0.2782	0.2767
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0573	0.5151	0.5141
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0856	0.7794	1
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0374	0.3298	0.3243
Plasmodium vivax	unspecified product	0.0138	0.1088	0.1896
Echinococcus multilocularis	cathepsin L	0.0138	0.1088	0.1069
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0035	0.0125	0.0104
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0573	0.5151	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0319	0.2782	0.2622
Loa Loa (eye worm)	ctsf protein	0.0573	0.5151	0.5151
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0374	0.3298	0.6244
Trypanosoma cruzi	cysteine proteinase, putative	0.0319	0.2782	0.2622
Loa Loa (eye worm)	cysteine protease	0.0573	0.5151	0.5151
Giardia lamblia	Cathepsin B precursor	0.0433	0.3844	1
Entamoeba histolytica	cysteine protease, putative	0.0319	0.2782	0.5199
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or H-like cysteine peptidase	0.0138	0.1088	0.1765
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0433	0.3844	0.3831
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0573	0.5151	0.5141
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0045	0.0217	0.5
Brugia malayi	Cathepsin L-like precursor	0.0573	0.5151	0.5111
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0573	0.5151	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0137	0.0116
Onchocerca volvulus	Cathepsin F homolog	0.0573	0.5151	1
Onchocerca volvulus		0.0573	0.5151	1
Entamoeba histolytica	cysteine protease, putative	0.0319	0.2782	0.5199
Trypanosoma cruzi	cysteine peptidase, putative	0.0573	0.5151	0.5043
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0674	0.61	0.6014
Entamoeba histolytica	cysteine protease, putative	0.0319	0.2782	0.5199
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0057	0.033	0.0309
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0433	0.3844	0.7352
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.004	0.0174	0.5
Giardia lamblia	Cathepsin B precursor	0.0374	0.3298	0.8018
Loa Loa (eye worm)	hypothetical protein	0.0138	0.1088	0.1088
Schistosoma mansoni	inositol monophosphatase	0.0045	0.0217	0.0196
Brugia malayi	cathepsin L-like precursor	0.0391	0.3457	0.3403
Plasmodium vivax	serine-repeat antigen 4 (SERA)	0.0138	0.1088	0.1896
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0573	0.5151	0.5151
Trypanosoma cruzi	cysteine proteinase, putative	0.0319	0.2782	0.2622
Loa Loa (eye worm)	hypothetical protein	0.0138	0.1088	0.1088
Echinococcus multilocularis	cathepsin b	0.1092	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin H-like cysteine peptidase	0.0138	0.1088	0.1765
Schistosoma mansoni	cathepsin S (C01 family)	0.0138	0.1088	0.1069
Echinococcus multilocularis	cathepsin L cysteine protease	0.0573	0.5151	0.5141
Plasmodium vivax	vivapain-1	0.0319	0.2782	0.5276
Echinococcus granulosus	histone lysine methyltransferase setb	0.0057	0.033	0.0309
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0573	0.5151	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0138	0.1088	0.1765
Echinococcus multilocularis	inositol monophosphatase 1	0.0045	0.0217	0.0196
Loa Loa (eye worm)	inositol-1	0.0045	0.0217	0.0217
Leishmania major	cathepsin L-like protease	0.0573	0.5151	0.6511
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0138	0.1088	0.1088
Entamoeba histolytica	cysteine protease, putative	0.0138	0.1088	0.1765
Loa Loa (eye worm)	cathepsin B	0.0433	0.3844	0.3844
Echinococcus granulosus	cathepsin L cysteine protease	0.0319	0.2782	0.2767
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0856	0.7794	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0856	0.7794	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0573	0.5151	1
Entamoeba histolytica	cysteine proteinase, putative	0.0573	0.5151	1
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0138	0.1088	0.1069
Plasmodium vivax	unspecified product	0.0319	0.2782	0.5276
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0043	0.0206	0.0185
Plasmodium falciparum	dipeptidyl aminopeptidase 3	0.0221	0.1864	0.1909
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0036	0.0137	0.0116
Plasmodium vivax	serine-repeat antigen (SERA)	0.0138	0.1088	0.1896
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0138	0.1088	0.1069
Brugia malayi	Papain family cysteine protease containing protein	0.0319	0.2782	0.2723
Trichomonas vaginalis	conserved hypothetical protein	0.0138	0.1088	0.1765
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0138	0.1088	0.1765
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.1092	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0573	0.5151	1
Toxoplasma gondii	cathepsin CPC2	0.0221	0.1864	0.3443
Leishmania major	cathepsin L-like protease	0.0573	0.5151	0.6511
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0319	0.2782	0.5199
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0045	0.0217	0.5
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0357	0.3132	0.3117
Loa Loa (eye worm)	hypothetical protein	0.0138	0.1088	0.1088
Trypanosoma cruzi	cysteine peptidase, putative	0.0856	0.7794	0.7745
Trypanosoma cruzi	cysteine peptidase, putative	0.0856	0.7794	0.7745
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0573	0.5151	0.5141
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0138	0.1088	0.1765
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0573	0.5151	1
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0357	0.3132	0.5973
Trypanosoma cruzi	cysteine peptidase, putative	0.0319	0.2782	0.2622
Entamoeba histolytica	cysteine protease, putative	0.0319	0.2782	0.5199
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0573	0.5151	1
Trichomonas vaginalis	set domain proteins, putative	0.0286	0.2473	0.4571
Plasmodium vivax	serine-repeat antigen 4 (SERA), putative	0.0138	0.1088	0.1896
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0573	0.5151	1
Loa Loa (eye worm)	hypothetical protein	0.0181	0.1495	0.1495
Entamoeba histolytica	cysteine proteinase, putative	0.0391	0.3457	0.6566
Onchocerca volvulus		0.0573	0.5151	1
Entamoeba histolytica	cysteine protease, putative	0.0319	0.2782	0.5199
Onchocerca volvulus		0.0286	0.2473	0.4658
Echinococcus multilocularis	cathepsin L cysteine protease	0.0573	0.5151	0.5141
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0374	0.3298	0.6244
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0374	0.3298	0.6244
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0221	0.1864	0.2814
Entamoeba histolytica	cysteine proteinase 1, putative	0.0319	0.2782	0.5199
Loa Loa (eye worm)	hypothetical protein	0.0049	0.026	0.026
Brugia malayi	Bromodomain containing protein	0.0091	0.0647	0.057
Entamoeba histolytica	cysteine protease, putative	0.0319	0.2782	0.5199
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0573	0.5151	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0072	0.0474	0.0454
Plasmodium vivax	vivapain-2	0.0573	0.5151	1
Echinococcus granulosus	cathepsin l1	0.0573	0.5151	0.5141
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.0138	0.1088	0.1765
Brugia malayi	Cathepsin L-like precursor	0.0573	0.5151	0.5111
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0573	0.5151	1
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0374	0.3298	0.3298
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0138	0.1088	0.1069
Entamoeba histolytica	cysteine protease, putative	0.0573	0.5151	1
Entamoeba histolytica	cysteine proteinase, putative	0.0319	0.2782	0.5199
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0282	0.0282
Onchocerca volvulus		0.0573	0.5151	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0573	0.5151	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0421	0.3732	0.3592
Loa Loa (eye worm)	PHD-finger family protein	0.0025	0.0033	0.0033
Brugia malayi	cathepsin L-like cysteine proteinase	0.0138	0.1088	0.1015
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0319	0.2782	0.2767
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0856	0.7794	1
Echinococcus granulosus	cathepsin b	0.1092	1	1
Giardia lamblia	Encystation-specific protease	0.0221	0.1864	0.2814
Leishmania major	cathepsin L-like protease	0.0573	0.5151	0.6511
Plasmodium vivax	unspecified product	0.0181	0.1495	0.2707
Onchocerca volvulus		0.0573	0.5151	1
Loa Loa (eye worm)	hypothetical protein	0.0391	0.3457	0.3457
Brugia malayi	Cathepsin L-like precursor	0.0573	0.5151	0.5111
Leishmania major	cathepsin L-like protease	0.0856	0.7794	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0573	0.5151	1
Echinococcus granulosus	cysteine protease	0.0319	0.2782	0.2767
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0181	0.1495	0.1495
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0027	0.0055	0.0034
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0856	0.7794	1
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0374	0.3298	0.3243
Schistosoma mansoni	thyroid hormone receptor	0.0164	0.1335	0.1316
Trypanosoma cruzi	cruzipain precursor, putative	0.0856	0.7794	0.7745
Trypanosoma cruzi	cruzipain precursor, putative	0.0181	0.1495	0.1306
Schistosoma mansoni	cathepsin s	0.0181	0.1495	0.1476
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.2148	0.2148
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0573	0.5151	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0319	0.2782	0.2767
Loa Loa (eye worm)	hypothetical protein	0.0181	0.1495	0.1495
Brugia malayi	Papain family cysteine protease containing protein	0.0573	0.5151	0.5111
Brugia malayi	Bromodomain containing protein	0.0046	0.0233	0.0152
Echinococcus granulosus	cathepsin l1	0.0391	0.3457	0.3443
Entamoeba histolytica	cysteine protease, putative	0.0319	0.2782	0.5199
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0138	0.1088	0.1069
Giardia lamblia	Cathepsin B precursor	0.0433	0.3844	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0319	0.2782	0.3385
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.0357	0.3132	0.5973
Leishmania major	cathepsin L-like protease	0.0573	0.5151	0.6511
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0391	0.3457	0.6566
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0043	0.0206	0.0185
Entamoeba histolytica	cysteine protease, putative	0.0138	0.1088	0.1765
Loa Loa (eye worm)	hypothetical protein	0.0391	0.3457	0.3457
Echinococcus granulosus	fetal alzheimer antigen falz	0.0027	0.0055	0.0034
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0138	0.1088	0.1765
Schistosoma mansoni	cathepsin B (C01 family)	0.0138	0.1088	0.1069
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0319	0.2782	0.5199
Toxoplasma gondii	cathepsin B	0.0433	0.3844	0.7394
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0598	0.0598
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.0357	0.3132	0.5973
Loa Loa (eye worm)	hypothetical protein	0.0573	0.5151	0.5151
Entamoeba histolytica	cysteine protease, putative	0.0319	0.2782	0.5199
Plasmodium vivax	serine-repeat antigen 5 (SERA)	0.0138	0.1088	0.1896
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0573	0.5151	1
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0138	0.1088	0.1896
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0573	0.5151	1
Entamoeba histolytica	cysteine proteinase, putative	0.0319	0.2782	0.5199
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0027	0.0055	0.0034
Entamoeba histolytica	cysteine protease, putative	0.0319	0.2782	0.5199
Schistosoma mansoni	thyroid hormone receptor	0.0164	0.1335	0.1316
Schistosoma mansoni	cathepsin F (C01 family)	0.0391	0.3457	0.3443
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0138	0.1088	0.1765
Loa Loa (eye worm)	hypothetical protein	0.1092	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0138	0.1088	0.1765
Schistosoma mansoni	hypothetical protein	0.0152	0.1221	0.1202
Brugia malayi	Papain family cysteine protease containing protein	0.0319	0.2782	0.2723
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0573	0.5151	1
Plasmodium vivax	vivapain-2	0.0573	0.5151	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0856	0.7794	1
Loa Loa (eye worm)	hypothetical protein	0.0181	0.1495	0.1495
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1092	1	1
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0357	0.3132	0.7416
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0164	0.1335	0.1316
Leishmania major	cathepsin L-like protease	0.0856	0.7794	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0274	0.2357	0.4336
Onchocerca volvulus		0.0573	0.5151	1
Brugia malayi	Cathepsin L-like precursor	0.0181	0.1495	0.1425
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0573	0.5151	1
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0319	0.2782	0.417
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0138	0.1088	0.1896
Loa Loa (eye worm)	fibroinase	0.0573	0.5151	0.5151
Entamoeba histolytica	cysteine protease, putative	0.0319	0.2782	0.5199
Entamoeba histolytica	cysteine protease, putative	0.0138	0.1088	0.1765
Entamoeba histolytica	cysteine proteinase, putative	0.0319	0.2782	0.5199
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0573	0.5151	0.5151
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0856	0.7794	1
Brugia malayi	Cathepsin L-like precursor	0.0573	0.5151	0.5111
Echinococcus granulosus	cathepsin L	0.0138	0.1088	0.1069
Brugia malayi	Cathepsin L-like precursor	0.0391	0.3457	0.3403
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0433	0.3844	0.3708
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0573	0.5151	1
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.0357	0.3132	0.5031
Brugia malayi	Papain family cysteine protease containing protein	0.0138	0.1088	0.1015
Brugia malayi	fibroinase precursor	0.0138	0.1088	0.1015
Onchocerca volvulus	Cathepsin L homolog	0.0573	0.5151	1
Echinococcus multilocularis	cathepsin L	0.0319	0.2782	0.2767
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0573	0.5151	0.5141
Onchocerca volvulus	Cathepsin L homolog	0.0138	0.1088	0.1896
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0573	0.5151	1
Schistosoma mansoni	bromodomain containing protein	0.0076	0.0515	0.0494
Entamoeba histolytica	cysteine proteinase, putative	0.0319	0.2782	0.5199
Echinococcus multilocularis	cysteine protease	0.0573	0.5151	0.5141
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0374	0.3298	0.6244
Schistosoma mansoni	cathepsin F (C01 family)	0.0573	0.5151	0.5141
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0433	0.3844	0.4787
Brugia malayi	cathepsin L precursor	0.0138	0.1088	0.1015
Leishmania major	cathepsin L-like protease	0.0856	0.7794	1
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0152	0.1221	0.1202
Entamoeba histolytica	cysteine protease, putative	0.0138	0.1088	0.1765
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0391	0.3457	0.6566
Plasmodium vivax	serine-repeat antigen 3 (SERA)	0.0138	0.1088	0.1896
Echinococcus multilocularis	cathepsin b	0.1092	1	1
Brugia malayi	Pre-SET motif family protein	0.0036	0.0137	0.0056
Toxoplasma gondii	cathepsin CPL	0.0573	0.5151	1
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.0357	0.3132	0.5031
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0045	0.0217	0.0159
Onchocerca volvulus		0.0573	0.5151	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0856	0.7794	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0138	0.1088	0.1069
Schistosoma mansoni	inositol monophosphatase	0.0045	0.0217	0.0196
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0856	0.7794	1
Echinococcus granulosus	inositol monophosphatase 1	0.0045	0.0217	0.0196
Trypanosoma cruzi	cysteine peptidase, putative	0.0856	0.7794	0.7745
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0573	0.5151	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0573	0.5151	1
Loa Loa (eye worm)	hypothetical protein	0.0138	0.1088	0.1088
Brugia malayi	Papain family cysteine protease containing protein	0.0138	0.1088	0.1015
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.1092	1	1
Brugia malayi	Cathepsin L-like precursor	0.0573	0.5151	0.5111
Brugia malayi	Cathepsin L-like precursor	0.0573	0.5151	0.5111
Schistosoma mansoni	hypothetical protein	0.0025	0.0033	0.0012
Schistosoma mansoni	cathepsin F (C01 family)	0.0573	0.5151	0.5141
Brugia malayi	Inositol-1	0.0045	0.0217	0.0137
Trypanosoma cruzi	major cysteine proteinase, putative	0.0138	0.1088	0.089
Echinococcus multilocularis	cysteine protease	0.0573	0.5151	0.5141
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0856	0.7794	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0573	0.5151	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0057	0.033	0.0309
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0573	0.5151	1
Brugia malayi	Papain family cysteine protease containing protein	0.0138	0.1088	0.1015
Loa Loa (eye worm)	hypothetical protein	0.0057	0.033	0.033
Entamoeba histolytica	cysteine protease, putative	0.0319	0.2782	0.5199
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0573	0.5151	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0057	0.033	0.0309
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0234	0.0234
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1092	1	1
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0181	0.1495	0.1425
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.004	0.0174	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0138	0.1088	0.1765
Plasmodium vivax	serine-repeat antigen (SERA)	0.0138	0.1088	0.1896
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0573	0.5151	1
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.0138	0.1088	0.1765
Echinococcus granulosus	cathepsin b	0.1092	1	1
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.0221	0.1864	0.3443
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0138	0.1088	0.1088
Onchocerca volvulus		0.0391	0.3457	0.6621
Brugia malayi	cathepsin F-like cysteine proteinase	0.0138	0.1088	0.1015
Loa Loa (eye worm)	hypothetical protein	0.0138	0.1088	0.1088
Trypanosoma cruzi	cysteine protease, putative	0.0319	0.2782	0.2622
Onchocerca volvulus		0.0138	0.1088	0.1896
Entamoeba histolytica	cysteine protease, putative	0.0319	0.2782	0.5199
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0138	0.1088	0.1765
Trichomonas vaginalis	Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase	0.0138	0.1088	0.1765
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0573	0.5151	1
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0152	0.1221	0.1202
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1092	1	1
Brugia malayi	Cathepsin L-like precursor	0.0391	0.3457	0.3403
Entamoeba histolytica	cysteine protease, putative	0.0319	0.2782	0.5199
Leishmania major	cathepsin L-like protease	0.0573	0.5151	0.6511
Schistosoma mansoni	cathepsin C	0.0138	0.1088	0.1069
Trichomonas vaginalis	conserved hypothetical protein	0.0138	0.1088	0.1765
Entamoeba histolytica	cysteine protease, putative	0.0138	0.1088	0.1765
Entamoeba histolytica	cysteine protease, putative	0.0138	0.1088	0.1765
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0036	0.0137	0.0116
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0573	0.5151	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0573	0.5151	1
Brugia malayi	Pre-SET motif family protein	0.0251	0.2148	0.2084
Brugia malayi	cathepsin F-like cysteine proteinase	0.0181	0.1495	0.1425
Plasmodium vivax	serine-repeat antigen 2 (SERA)	0.0138	0.1088	0.1896
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0319	0.2782	0.3385
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0856	0.7794	1
Loa Loa (eye worm)	hypothetical protein	0.0391	0.3457	0.3457
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0072	0.0474	0.0454
Plasmodium vivax	vivapain-3	0.0319	0.2782	0.5276
Toxoplasma gondii	cathepsin CPC1	0.0357	0.3132	0.5973
Entamoeba histolytica	cysteine proteinase 2	0.0319	0.2782	0.5199
Trypanosoma cruzi	cysteine peptidase, putative	0.0181	0.1495	0.1306
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0138	0.1088	0.1069
Loa Loa (eye worm)	hypothetical protein	0.0138	0.1088	0.1088
Trichomonas vaginalis	Clan CA, family C1, cathepsin F-like cysteine peptidase	0.0138	0.1088	0.1765
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0573	0.5151	1
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0138	0.1088	0.1069

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 5.6234 um	PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	14.1254 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (binding)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	63.0957 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813]	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL1442901

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1344930