SCHEMBL9302826

SCHEMBL9302826

Cc1nc2ccccc2n1Cc1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1

nearest known ligand 0.83

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.83
HRH3 Q9Y5N1 12/20 0.66
HDAC1 Q13547 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
TNF P01375 1/20 0.53
GALR3 O60755 2/20 0.53
NR2F2 P24468 2/20 0.53
RAB9A P51151 1/20 0.53
KCNH2 Q12809 1/20 0.49

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
SCHEMBL9303757 0.91 PTAFR (0.78) PTAFRHRH3HDAC1HDAC6TNF
SCHEMBL9301610 0.91 PTAFR (1.00) PTAFRHRH3HDAC1HDAC6TNF
SCHEMBL4937585 0.81 PTAFR (0.79) PTAFRHRH3HDAC1HDAC6KCNH2
SCHEMBL4945297 0.81 HRH3 (0.90) PTAFRHRH3KCNH2
SCHEMBL4937590 0.81 PTAFR (0.79) PTAFRHRH3HDAC1HDAC6KCNH2
SCHEMBL3724608 0.81 HRH3 (0.90) PTAFRHRH3KCNH2
SCHEMBL3668224 0.81 HRH3 (0.92) PTAFRHRH3KCNH2
SCHEMBL3724043 0.81 HRH3 (0.98) PTAFRHRH3KCNH2
SCHEMBL3726475 0.81 PTAFR (0.81) PTAFRHRH3HDAC1HDAC6TNF
SCHEMBL4943997 0.80 HRH3 (1.00) PTAFRHRH3KCNH2

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