SCHEMBL9300543

SCHEMBL9300543

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.67
GALR3 O60755 3/20 0.66
NR2F2 P24468 3/20 0.66
RAB9A P51151 2/20 0.66
DRD2 P14416 2/20 0.61
PTAFR P25105 2/20 0.60
HDAC1 Q13547 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
NPC1 O15118 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CA12 O43570 2/20 0.51
CA9 Q16790 2/20 0.51
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50

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
SCHEMBL8324796 0.83 PTAFR (0.56) PTAFR
SCHEMBL3974904 0.81 TNF (0.77) TNFGALR3NR2F2RAB9APTAFR
SCHEMBL8220572 0.81 TNF (0.77) TNFGALR3NR2F2RAB9APTAFR
SCHEMBL6833621 0.81 TNF (0.81) TNFGALR3NR2F2RAB9AHDAC1
SCHEMBL231295 0.81 TNF (1.00) TNFGALR3NR2F2RAB9AHDAC1
SCHEMBL9302023 0.80 PTAFR (0.66) TNFGALR3NR2F2RAB9APTAFR
Chlormidazole SCHEMBL30402878 0.80 GALR3 (1.00) TNFGALR3NR2F2RAB9ADRD2
Chlormidazole SCHEMBL148113 0.80 GALR3 (1.00) TNFGALR3NR2F2RAB9ADRD2
SCHEMBL9302639 0.79 PTAFR (0.64) TNFGALR3NR2F2RAB9APTAFR
SCHEMBL3974900 0.79 TNF (0.77) TNFGALR3NR2F2RAB9APTAFR

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 6 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
US-5276153-A Antagonist of platelet activating factor for bronchodilation BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-01-04 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