SCHEMBL9302805

SCHEMBL9302805

CCCCCCCCCCNS(=O)(=O)c1ccc(Cn2c(C)nc3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.53
GALR3 O60755 2/20 0.53
NR2F2 P24468 2/20 0.53
RAB9A P51151 1/20 0.53
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
ALDH1A1 P00352 3/20 0.51
PTAFR P25105 2/20 0.51
AGTR1 P30556 2/20 0.49
AGTR2 P50052 2/20 0.49
EDNRA P25101 1/20 0.48
GSK3B P49841 1/20 0.47
TBXAS1 P24557 1/20 0.46
HTT P42858 2/20 0.46
RORC P51449 1/20 0.45
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL8560863 0.82 GALR3 (0.50) TNFGALR3NR2F2RAB9AHDAC1
SCHEMBL9299036 0.82 TNF (0.55) TNFGALR3NR2F2RAB9AHDAC1
SCHEMBL8567343 0.81 GALR3 (0.48) TNFGALR3NR2F2RAB9AHDAC1
SCHEMBL9301901 0.81 PTAFR (0.47) TNFGALR3NR2F2RAB9AHDAC1
SCHEMBL9304259 0.81 GALR3 (0.69) TNFGALR3NR2F2RAB9AHDAC1
SCHEMBL8137536 0.81 TNF (0.59) TNFGALR3NR2F2RAB9AHDAC1
SCHEMBL9298879 0.80 TNF (0.57) TNFGALR3NR2F2RAB9AHDAC1
SCHEMBL9301970 0.79 GALR3 (0.57) TNFGALR3NR2F2RAB9AHDAC1
SCHEMBL8129105 0.79 HDAC1 (0.56) TNFGALR3NR2F2RAB9AHDAC1
SCHEMBL9302325 0.79 GALR3 (0.56) TNFGALR3NR2F2RAB9AHDAC1

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