SCHEMBL9303096

SCHEMBL9303096

COc1cccc(NC(=O)c2ccc(Cn3cnc4ccccc43)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
TP53 P04637 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 2/20 0.57
MAPT P10636 3/20 0.57
KDM4E B2RXH2 1/20 0.57
TSHR P16473 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CDYL2 Q8N8U2 1/20 0.57
CDYL Q9Y232 1/20 0.57
CDY1; CDY1B Q9Y6F8 1/20 0.57
ALDH1A1 P00352 2/20 0.56
KMT2A Q03164 2/20 0.56
NLRP3 Q96P20 1/20 0.56
PKM P14618 1/20 0.56
TRPV1 Q8NER1 1/20 0.55
IDO1 P14902 4/20 0.54

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
SCHEMBL9304188 0.88 HDAC1 (0.59) HDAC1HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL9304316 0.85 HDAC1 (0.66) HDAC1HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL3497107 0.78 HDAC1 (0.70) HDAC1HDAC6RAB9ASMN1; SMN2LMNA
SCHEMBL16147971 0.77 CYP11B1 (0.69) SMN1; SMN2LMNATSHRCDYL2CDYL
SCHEMBL16147363 0.77 FGFR1 (0.62) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL14376802 0.77 HDAC6 (0.53) HDAC1HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL14376815 0.77 HDAC6 (0.65) HDAC1HDAC6MMP13
SCHEMBL17946096 0.77 MAPT (0.86) NPC1RAB9ATP53SMN1; SMN2LMNA
SCHEMBL12850040 0.77 HDAC6 (1.00) HDAC1HDAC6SMN1; SMN2LMNAIDO1
SCHEMBL12771538 0.76 HTT (0.72) HDAC1HDAC6SMN1; SMN2LMNATSHR

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