SCHEMBL9303087

SCHEMBL9303087

COc1cccc(NC(=O)c2ccc(Cc3nc4ccccc4[nH]3)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.67
COMT P21964 1/20 0.62
PKM P14618 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
KMT2A Q03164 4/20 0.56
ALDH1A1 P00352 3/20 0.56
TP53 P04637 2/20 0.56
NLRP3 Q96P20 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MAPT P10636 4/20 0.55
THRB P10828 2/20 0.55
TRPV1 Q8NER1 1/20 0.55
MEN1 O00255 3/20 0.54
GRIN1 Q05586 2/20 0.54
GRIN2B Q13224 2/20 0.54
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
RECQL P46063 1/20 0.53

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
SCHEMBL9304184 0.90 GRIN1 (0.63) NTRK1COMTPKMSMN1; SMN2NPC1
SCHEMBL9304180 0.87 NPC1 (0.55) NTRK1COMTPKMSMN1; SMN2NPC1
SCHEMBL9304311 0.85 NTRK1 (0.65) NTRK1COMTPKMSMN1; SMN2NPC1
SCHEMBL31134225 0.82 COMT (0.81) COMTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL6262306 0.81 PKM (0.73) NTRK1COMTPKMSMN1; SMN2NPC1
SCHEMBL20103646 0.80 NTRK1 (1.00) NTRK1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL6247253 0.80 HPSE (0.72) NTRK1PKMSMN1; SMN2NPC1RAB9A
SCHEMBL6243599 0.80 SMN1; SMN2 (0.60) NTRK1PKMSMN1; SMN2NPC1RAB9A
SCHEMBL7274899 0.79 ALDH1A1 (0.68) PKMSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL2878961 0.78 HSD17B10 (0.66) PKMSMN1; SMN2NPC1RAB9AKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP claimed
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO claimed
US-5314880-A Platelet activating factor antagonist BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-05-24 US disclosed
EP-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP disclosed
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO disclosed