SCHEMBL9302593

SCHEMBL9302593

Cc1nc2ccccc2n1Cc1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.62
TNF P01375 1/20 0.61
GALR3 O60755 3/20 0.57
NR2F2 P24468 3/20 0.57
RAB9A P51151 2/20 0.57
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
ALDH1A1 P00352 2/20 0.52
CXCR4 P61073 2/20 0.51
TSHR P16473 2/20 0.50
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
CYP2C9 P11712 1/20 0.46
TP53 P04637 1/20 0.46
NPC1 O15118 1/20 0.46
NR1H3 Q13133 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 0.97 PTAFR (0.64) PTAFRTNFGALR3NR2F2RAB9A
SCHEMBL9302294 0.92 GALR3 (0.67) PTAFRTNFGALR3NR2F2RAB9A
SCHEMBL9302731 0.91 GALR3 (0.68) PTAFRTNFGALR3NR2F2RAB9A
SCHEMBL9302637 0.88 PTAFR (0.57) PTAFRTNFGALR3NR2F2RAB9A
SCHEMBL9303024 0.86 PTAFR (0.58) PTAFRTNFGALR3NR2F2RAB9A
SCHEMBL9302023 0.84 PTAFR (0.66) PTAFRTNFGALR3NR2F2RAB9A
SCHEMBL9303788 0.83 TNF (0.61) PTAFRTNFGALR3NR2F2RAB9A
SCHEMBL9302841 0.81 CNR2 (0.59) PTAFRTNFGALR3NR2F2RAB9A
SCHEMBL10474692 0.81 PTAFR (0.50) PTAFRTNFGALR3NR2F2RAB9A
SCHEMBL9299088 0.81 PTAFR (0.62) PTAFRTNFGALR3NR2F2RAB9A

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