SCHEMBL7880690

SCHEMBL7880690

CSc1ccc([N+](=O)[O-])c(Nc2cccc(CN)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 4/20 0.39
▸ CFD P00746 2/20 0.38
▸ PRKCQ Q04759 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ HSF1 Q00613 1/20 0.38
▸ MAPT P10636 4/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ BLM P54132 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ BPTF Q12830 1/20 0.37
▸ PIN1 Q13526 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RECQL P46063 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7880687 0.87 BRD4 (0.43) BRD4CFDPRKCQGSK3BHSF1
Hydrochloric Acid SCHEMBL7876724 0.86 BRD4 (0.43) BRD4CFDPRKCQGSK3BHSF1
SCHEMBL7880710 0.83 BRD4 (0.42) BRD4CFDPRKCQGSK3BHSF1
SCHEMBL7872403 0.82 TXNRD1 (0.48) MAPTL3MBTL1KMT2ABLMNPSR1
Hydrochloric Acid SCHEMBL7876717 0.82 BRD4 (0.41) BRD4CFDPRKCQGSK3BHSF1
SCHEMBL7883285 0.80 MAOA (0.48) BRD4CFDPRKCQGSK3BMAPT
Hydrochloric Acid SCHEMBL7880082 0.76 MAPT (0.55) PRKCQMAPTL3MBTL1KMT2AMEN1
SCHEMBL7878438 0.73 TDP1 (0.55) PRKCQMAPTL3MBTL1KMT2ATDP1
SCHEMBL7883169 0.72 KAT2B (0.51) MAPTL3MBTL1KMT2ABLMNPSR1
SCHEMBL28946197 0.71 NPC1 (0.60) PRKCQMAPTL3MBTL1KMT2APIN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6331553-B1 INHIBITORS OF NITRIC OXIDE SYNTHASE; TREATING CEREBROVASCULAR DISEASES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-12-18 — — US claimed
EP-0949242-A1 AROMATIC AMINE DERIVATIVES HAVING NOS INHIBITORY EFFECT Chugai Seiyaku Kabushiki Kaisha (JP) 1999-10-13 — — EP claimed
US-6331553-B1 INHIBITORS OF NITRIC OXIDE SYNTHASE; TREATING CEREBROVASCULAR DISEASES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-12-18 — — US disclosed
EP-0949242-A1 AROMATIC AMINE DERIVATIVES HAVING NOS INHIBITORY EFFECT Chugai Seiyaku Kabushiki Kaisha (JP) 1999-10-13 — — EP disclosed
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