SCHEMBL9302291

SCHEMBL9302291

Cc1nc2ccccc2n1Cc1ccc(S(=O)(=O)NC2CCC(C(C)(C)C)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.55
GALR3 O60755 2/20 0.49
NR2F2 P24468 2/20 0.49
RAB9A P51151 1/20 0.49
TNF P01375 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
EDNRA P25101 1/20 0.45
RORC P51449 1/20 0.44
HRH3 Q9Y5N1 6/20 0.44
GNRHR P30968 1/20 0.43
HTT P42858 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
SCHEMBL9303746 0.88 PTAFR (0.67) PTAFRGALR3NR2F2RAB9ATNF
SCHEMBL9303763 0.76 PTAFR (0.55) PTAFRGALR3NR2F2RAB9ATNF
SCHEMBL9303050 0.76 PTAFR (0.59) PTAFRGALR3NR2F2RAB9ATNF
SCHEMBL8137319 0.76 HDAC1 (0.56) PTAFRGALR3NR2F2RAB9ATNF
SCHEMBL8581273 0.75 PTAFR (0.57) PTAFRALDH1A1
SCHEMBL9304259 0.75 GALR3 (0.69) PTAFRGALR3NR2F2RAB9ATNF
SCHEMBL9302155 0.75 PTAFR (0.58) PTAFRGALR3NR2F2RAB9ATNF
SCHEMBL9302266 0.74 PTAFR (0.55) PTAFRGALR3NR2F2RAB9ATNF
SCHEMBL9298869 0.74 TNF (0.61) PTAFRGALR3NR2F2RAB9ATNF
SCHEMBL8131553 0.74 HDAC1 (0.54) 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 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