SCHEMBL9302509

SCHEMBL9302509

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

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.83
TNF P01375 1/20 0.53
GALR3 O60755 2/20 0.53
NR2F2 P24468 2/20 0.53
RAB9A P51151 1/20 0.53
HRH3 Q9Y5N1 6/20 0.52
CYP2D6 P10635 2/20 0.48
HRH1 P35367 2/20 0.48
CHRM1 P11229 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
GSK3B P49841 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL9302834 0.91 PTAFR (1.00) PTAFRTNFGALR3NR2F2RAB9A
SCHEMBL9303746 0.81 PTAFR (0.67) PTAFRTNFGALR3NR2F2RAB9A
SCHEMBL9302693 0.80 PTAFR (0.80) PTAFRHRH3
SCHEMBL9302826 0.79 PTAFR (0.83) PTAFRTNFGALR3NR2F2RAB9A
SCHEMBL9301338 0.78 PTAFR (0.78) PTAFRRAB9ACYP2D6HRH1CHRM1
SCHEMBL9301610 0.78 PTAFR (1.00) PTAFRTNFGALR3NR2F2RAB9A
SCHEMBL9302023 0.78 PTAFR (0.66) PTAFRTNFGALR3NR2F2RAB9A
SCHEMBL9302507 0.78 PTAFR (0.77) PTAFRGALR3NR2F2RAB9AHRH3
SCHEMBL9303630 0.78 PTAFR (0.77) PTAFRGALR3NR2F2RAB9A
SCHEMBL9303479 0.77 PTAFR (0.76) PTAFRKCNH2

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