SCHEMBL9302155

SCHEMBL9302155

Cc1nc2ccccc2n1Cc1ccc(S(=O)(=O)NN2CCC[C@H]3CCCC[C@@H]32)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.58
GALR3 O60755 2/20 0.47
NR2F2 P24468 2/20 0.47
RAB9A P51151 1/20 0.47
TNF P01375 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HRH3 Q9Y5N1 6/20 0.46
EDNRA P25101 1/20 0.42
KCNH2 Q12809 2/20 0.42
CYP2D6 P10635 2/20 0.42
CHRM1 P11229 2/20 0.42
HRH1 P35367 2/20 0.42
GSK3B P49841 1/20 0.41

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
SCHEMBL9303050 0.88 PTAFR (0.59) PTAFRGALR3NR2F2RAB9ATNF
SCHEMBL9303746 0.80 PTAFR (0.67) PTAFRGALR3NR2F2RAB9ATNF
SCHEMBL9302266 0.79 PTAFR (0.55) PTAFRGALR3NR2F2RAB9ATNF
SCHEMBL9303064 0.77 PTAFR (0.52) PTAFRGALR3NR2F2RAB9ATNF
SCHEMBL9302296 0.76 PTAFR (0.52) PTAFRGALR3NR2F2RAB9ATNF
SCHEMBL9302291 0.75 PTAFR (0.55) PTAFRGALR3NR2F2RAB9ATNF
SCHEMBL9302509 0.74 PTAFR (0.83) PTAFRGALR3NR2F2RAB9ATNF
SCHEMBL9302834 0.73 PTAFR (1.00) PTAFRGALR3NR2F2RAB9ATNF
SCHEMBL9303763 0.73 PTAFR (0.55) PTAFRGALR3NR2F2RAB9ATNF
SCHEMBL8136726 0.73 PTAFR (0.55) PTAFRGALR3NR2F2RAB9ATNF

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
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
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO disclosed