TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 267.231 | Formula: C12H11F2N3O2
H donors: 2 H acceptors: 2 LogP: 1.38 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COCc1n[nH]c(c1/C=N/c1ccc(cc1F)F)O
InChi: 1S/C12H11F2N3O2/c1-19-6-11-8(12(18)17-16-11)5-15-10-3-2-7(13)4-9(10)14/h2-5H,6H2,1H3,(H2,16,17,18)/b15-5+
InChiKey: FAJHXDXEIKTJDE-PJQLUOCWSA-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	euchromatic histone-lysine N-methyltransferase 2	Starlite/ChEMBL	No references
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	set domain proteins, putative	Get druggable targets OG5_131470	All targets in OG5_131470
Brugia malayi	Pre-SET motif family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Onchocerca volvulus		Get druggable targets OG5_131470	All targets in OG5_131470

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0013	0.0283	0.0323
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0013	0.0283	0.0339
Echinococcus multilocularis	dna polymerase kappa	0.0013	0.0283	0.0339
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0017	0.0425	0.0509
Echinococcus granulosus	ring and YY1 binding protein	0.0085	0.2846	0.3408
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0283	0.0546
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0017	0.0425	0.0509
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0283	0.0546
Schistosoma mansoni	RNA binding protein	0.0085	0.2846	0.3408
Trypanosoma brucei	DNA polymerase IV, putative	0.0013	0.0283	0.0546
Onchocerca volvulus		0.0036	0.1091	0.1091
Brugia malayi	hypothetical protein	0.0008	0.0078	0.0089
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0085	0.2846	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0036	0.1091	0.1225
Echinococcus granulosus	SWI:SNF matrix associated	0.024	0.8351	1
Echinococcus multilocularis	ring and YY1 binding protein	0.0085	0.2846	0.3408
Toxoplasma gondii	aspartyl protease ASP1	0.0017	0.0425	0.0419
Brugia malayi	TAR-binding protein	0.0098	0.3308	0.3776
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0085	0.2846	0.3248
Schistosoma mansoni	brg-1 associated factor	0.024	0.8351	1
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0008	0.0078	0.0089
Onchocerca volvulus		0.0085	0.2846	0.2846
Trichomonas vaginalis	set domain proteins, putative	0.0286	1	1
Mycobacterium ulcerans	DNA polymerase IV	0.0013	0.0283	0.5
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0013	0.0283	0.0339
Leishmania major	hypothetical protein, conserved	0.0085	0.2846	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.024	0.8351	1
Echinococcus granulosus	regulator of G protein signaling 7	0.0008	0.0078	0.0093
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.024	0.8351	1
Onchocerca volvulus		0.024	0.8351	0.8351
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0017	0.0425	0.0485
Schistosoma mansoni	tar DNA-binding protein	0.0098	0.3308	0.3962
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0036	0.1091	0.1306
Trypanosoma brucei	hypothetical protein, conserved	0.0085	0.2846	1
Loa Loa (eye worm)	TAR-binding protein	0.0098	0.3308	0.3776
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0085	0.2846	1
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.024	0.8351	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0283	0.0546
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0085	0.2846	1
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.024	0.8351	1
Brugia malayi	RNA binding protein	0.0098	0.3308	0.3776
Echinococcus granulosus	segment polarity protein dishevelled	0.0008	0.0078	0.0093
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0085	0.2846	0.3248
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.0085	0.2846	0.2846
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0283	0.0546
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0013	0.0283	0.0996
Onchocerca volvulus		0.0085	0.2846	0.2846
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0017	0.0425	0.0509
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0283	0.0546
Brugia malayi	Pre-SET motif family protein	0.0036	0.1091	0.1245
Onchocerca volvulus		0.0085	0.2846	0.2846
Trichomonas vaginalis	conserved hypothetical protein	0.024	0.8351	0.8351
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.1091	0.1306
Brugia malayi	hypothetical protein	0.0008	0.0078	0.0089
Schistosoma mansoni	hypothetical protein	0.0145	0.4986	0.5971
Loa Loa (eye worm)	DIX domain-containing protein	0.0008	0.0078	0.0089
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0085	0.2846	0.3408
Loa Loa (eye worm)	brahma associated protein	0.024	0.8351	0.953
Schistosoma mansoni	hypothetical protein	0.024	0.8351	1
Toxoplasma gondii	ran binding protein	0.0085	0.2846	0.3346
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0013	0.0283	0.0996
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0425	0.0485
Chlamydia trachomatis	SWIB complex protein	0.024	0.8351	0.5
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0078	0.0089
Echinococcus granulosus	Pleckstrin G protein interacting region	0.0008	0.0078	0.0093
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0035	0.1044	0.125
Echinococcus granulosus	tar DNA binding protein	0.0098	0.3308	0.3962
Schistosoma mansoni	DNA polymerase eta	0.0013	0.0283	0.0339
Onchocerca volvulus		0.0085	0.2846	0.2846
Schistosoma mansoni	hypothetical protein	0.0085	0.2846	0.3408
Echinococcus multilocularis	dna polymerase eta	0.0013	0.0283	0.0339
Schistosoma mansoni	regulator of G protein signaling	0.0008	0.0078	0.0093
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.1091	0.1306
Leishmania major	hypothetical protein, conserved	0.0085	0.2846	1
Plasmodium vivax	SET domain protein, putative	0.0036	0.1091	0.0841
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.1091	0.1306
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0085	0.2846	1
Leishmania major	hypothetical protein, conserved	0.0085	0.2846	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0013	0.0283	0.0996
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.0008	0.0078	0.0093
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0283	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0078	0.0089
Schistosoma mansoni	hypothetical protein	0.024	0.8351	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0013	0.0283	0.0546
Echinococcus multilocularis	tar DNA binding protein	0.0098	0.3308	0.3962
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0283	0.0546
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.024	0.8351	1
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.024	0.8351	0.953
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0283	0.0323
Schistosoma mansoni	dishevelled	0.0008	0.0078	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0085	0.2846	0.3248
Trypanosoma brucei	unspecified product	0.0013	0.0283	0.0546
Trypanosoma brucei	DNA polymerase eta, putative	0.0013	0.0283	0.0546
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0085	0.2846	0.3408
Schistosoma mansoni	tar DNA-binding protein	0.0098	0.3308	0.3962
Brugia malayi	brahma associated protein 60 kDa	0.024	0.8351	0.953
Echinococcus multilocularis	segment polarity protein dishevelled	0.0008	0.0078	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0085	0.2846	0.3248
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0085	0.2846	1
Plasmodium falciparum	zinc finger Ran-binding domain-containing protein 2, putative	0.0085	0.2846	0.3055
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.024	0.8351	1
Onchocerca volvulus	Segment polarity protein dishevelled homolog	0.0008	0.0078	0.0078
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0155	0.5325	0.5325
Schistosoma mansoni	TRABID protein (C64 family)	0.0085	0.2846	0.3408
Brugia malayi	ImpB/MucB/SamB family protein	0.0013	0.0283	0.0323
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1091	0.1245
Echinococcus multilocularis	segment polarity protein dishevelled	0.0008	0.0078	0.0093
Trypanosoma cruzi	hypothetical protein, conserved	0.0085	0.2846	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0036	0.1091	0.1306
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0085	0.2846	0.3248
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.0008	0.0078	0.0093
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0017	0.0425	0.0425
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0283	0.0546
Schistosoma mansoni	fusion	0.0085	0.2846	0.3408
Onchocerca volvulus		0.0008	0.0078	0.0078
Echinococcus multilocularis	geminin	0.0145	0.4986	0.5971
Echinococcus multilocularis	regulator of G protein signaling 7	0.0008	0.0078	0.0093
Plasmodium vivax	hypothetical protein, conserved	0.024	0.8351	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0013	0.0283	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0085	0.2846	0.3248
Schistosoma mansoni	dep domain containing protein	0.0008	0.0078	0.0093
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0013	0.0283	0.5
Echinococcus multilocularis	SWI:SNF matrix associated	0.024	0.8351	1
Echinococcus granulosus	Zinc finger RanBP2 type	0.0085	0.2846	0.3408
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0013	0.0283	0.0283
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0013	0.0283	0.0996
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.024	0.8351	1
Schistosoma mansoni	dishevelled	0.0008	0.0078	0.0093
Trichomonas vaginalis	DNA polymerase eta, putative	0.0013	0.0283	0.0283
Loa Loa (eye worm)	RNA binding protein	0.0098	0.3308	0.3776
Echinococcus multilocularis	regulator of G protein signaling 7	0.0008	0.0078	0.0093
Schistosoma mansoni	hypothetical protein	0.0145	0.4986	0.5971
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0085	0.2846	0.3248
Schistosoma mansoni	tar DNA-binding protein	0.0098	0.3308	0.3962
Schistosoma mansoni	cathepsin D (A01 family)	0.0051	0.1629	0.1951
Echinococcus granulosus	histone lysine methyltransferase setb	0.0036	0.1091	0.1306
Loa Loa (eye worm)	hypothetical protein	0.0085	0.2846	0.3248
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0085	0.2846	1
Brugia malayi	N-terminal motif family protein	0.0155	0.5325	0.6077
Leishmania major	hypothetical protein, conserved	0.0085	0.2846	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.0013	0.0283	0.0996
Leishmania major	hypothetical protein, conserved	0.0085	0.2846	1
Trypanosoma brucei	hypothetical protein, conserved	0.0085	0.2846	1
Brugia malayi	SWIB/MDM2 domain containing protein	0.024	0.8351	0.953
Echinococcus granulosus	zinc finger protein Ran binding	0.0085	0.2846	0.3408
Schistosoma mansoni	zinc finger protein	0.0085	0.2846	0.3408
Echinococcus granulosus	segment polarity protein dishevelled	0.0008	0.0078	0.0093
Trypanosoma cruzi	WLM domain containing protein, putative	0.0085	0.2846	1
Echinococcus granulosus	dna polymerase kappa	0.0013	0.0283	0.0339
Schistosoma mansoni	cathepsin D (A01 family)	0.0051	0.1629	0.1951
Schistosoma mansoni	tar DNA-binding protein	0.0098	0.3308	0.3962
Mycobacterium ulcerans	DNA polymerase IV	0.0013	0.0283	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0283	0.0546
Trypanosoma cruzi	hypothetical protein, conserved	0.0085	0.2846	1
Echinococcus granulosus	geminin	0.0145	0.4986	0.5971
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0085	0.2846	1
Schistosoma mansoni	hypothetical protein	0.024	0.8351	1
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0013	0.0283	1
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0008	0.0078	0.0089
Brugia malayi	Pre-SET motif family protein	0.0251	0.8763	1
Brugia malayi	RNA recognition motif domain containing protein	0.0098	0.3308	0.3776
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0098	0.3308	0.3776
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0036	0.1091	0.1306
Schistosoma mansoni	z-protein (S1r protein)	0.0008	0.0078	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0078	0.0089
Toxoplasma gondii	Zn-finger in Ran binding protein and others domain-containing protein	0.0085	0.2846	0.3346
Brugia malayi	regulator of G-protein signaling egl-10	0.0008	0.0078	0.0089
Schistosoma mansoni	tar DNA-binding protein	0.0098	0.3308	0.3962
Giardia lamblia	DINP protein human, muc B family	0.0013	0.0283	0.5
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0017	0.0425	0.0419
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0085	0.2846	0.3408
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0013	0.0283	0.0339
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.8763	1
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0008	0.0078	0.0089
Chlamydia trachomatis	DNA topoisomerase I	0.024	0.8351	0.5
Brugia malayi	brahma associated protein 60 kDa	0.024	0.8351	0.953
Echinococcus granulosus	dna polymerase eta	0.0013	0.0283	0.0339
Brugia malayi	DIX domain containing protein	0.0008	0.0078	0.0089
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0013	0.0283	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0155	0.5325	0.6077
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0283	0.0546
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0013	0.0283	0.5
Trypanosoma cruzi	WLM domain containing protein, putative	0.0085	0.2846	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0013	0.0283	0.0323
Loa Loa (eye worm)	hypothetical protein	0.0085	0.2846	0.3248
Brugia malayi	YY1-associated factor 2	0.0085	0.2846	0.3248
Trypanosoma cruzi	hypothetical protein, conserved	0.0085	0.2846	1
Echinococcus granulosus	regulator of G protein signaling 7	0.0008	0.0078	0.0093
Echinococcus multilocularis	SWI:SNF matrix associated	0.024	0.8351	1
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.024	0.8351	1
Echinococcus multilocularis	zinc finger protein Ran binding	0.0085	0.2846	0.3408

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 4.4668 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	19.9526 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)	31.6228 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)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	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: CHEMBL3210005

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1890872