SCHEMBL9302266

SCHEMBL9302266

Cc1nc2ccccc2n1Cc1ccc(S(=O)(=O)NN2CCC(c3ccccc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.55
TNF P01375 1/20 0.52
ALDH1A1 P00352 1/20 0.50
GALR3 O60755 2/20 0.49
NR2F2 P24468 2/20 0.49
RAB9A P51151 1/20 0.49
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HRH3 Q9Y5N1 6/20 0.46
RORC P51449 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
GRM2 Q14416 1/20 0.43
EDNRA P25101 1/20 0.43
PDE6D O43924 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
PPARG P37231 1/20 0.42

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
SCHEMBL9303064 0.85 PTAFR (0.52) PTAFRTNFALDH1A1GALR3NR2F2
SCHEMBL9303050 0.80 PTAFR (0.59) PTAFRTNFALDH1A1GALR3NR2F2
SCHEMBL9302296 0.80 PTAFR (0.52) PTAFRTNFALDH1A1GALR3NR2F2
SCHEMBL9301901 0.79 PTAFR (0.47) PTAFRTNFALDH1A1GALR3NR2F2
SCHEMBL9302155 0.79 PTAFR (0.58) PTAFRTNFALDH1A1GALR3NR2F2
SCHEMBL9303746 0.78 PTAFR (0.67) PTAFRTNFALDH1A1GALR3NR2F2
SCHEMBL9299653 0.77 TNF (0.59) PTAFRTNFALDH1A1GALR3NR2F2
SCHEMBL9302451 0.77 AGTR2 (0.47) PTAFRTNFALDH1A1GALR3NR2F2
SCHEMBL9303763 0.76 PTAFR (0.55) PTAFRTNFALDH1A1GALR3NR2F2
SCHEMBL8137319 0.76 HDAC1 (0.56) PTAFRTNFALDH1A1GALR3NR2F2

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