SCHEMBL9302294

SCHEMBL9302294

Cc1nc2ccccc2n1Cc1ccc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 2/20 0.67
NR2F2 P24468 2/20 0.67
RAB9A P51151 1/20 0.67
PTAFR P25105 2/20 0.62
TSHR P16473 2/20 0.61
TNF P01375 2/20 0.54
DRD2 P14416 2/20 0.52
TBXA2R P21731 1/20 0.52
ALDH3A1 P30838 1/20 0.51
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
GSK3B P49841 1/20 0.48
TP53 P04637 1/20 0.48
CXCR4 P61073 2/20 0.48
NOD1 Q9Y239 2/20 0.48
CXCL8 P10145 1/20 0.48
SOS1 Q07889 1/20 0.48
NOD2 Q9HC29 1/20 0.48
TSPO P30536 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL9302639 0.93 PTAFR (0.64) GALR3NR2F2RAB9APTAFRTSHR
SCHEMBL9302593 0.92 PTAFR (0.62) GALR3NR2F2RAB9APTAFRTSHR
SCHEMBL9302731 0.90 GALR3 (0.68) GALR3NR2F2RAB9APTAFRTSHR
SCHEMBL9303024 0.90 PTAFR (0.58) GALR3NR2F2RAB9APTAFRTSHR
SCHEMBL9302637 0.87 PTAFR (0.57) GALR3NR2F2RAB9APTAFRTSHR
Chlormidazole SCHEMBL148113 0.82 GALR3 (1.00) GALR3NR2F2RAB9ATSHRTNF
Chlormidazole SCHEMBL30402878 0.82 GALR3 (1.00) GALR3NR2F2RAB9ATSHRTNF
SCHEMBL9302023 0.81 PTAFR (0.66) GALR3NR2F2RAB9APTAFRTNF
Chlormidazole SCHEMBL364033 0.81 GALR3 (0.97) GALR3NR2F2RAB9ATSHRTNF
SCHEMBL9303788 0.80 TNF (0.61) GALR3NR2F2RAB9APTAFRTNF

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