SCHEMBL9302731

SCHEMBL9302731

Cc1nc2ccccc2n1Cc1ccc(CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 2/20 0.68
NR2F2 P24468 2/20 0.68
PTAFR P25105 2/20 0.61
TNF P01375 1/20 0.53
RAB9A P51151 2/20 0.53
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
LMNA P02545 2/20 0.50
TSHR P16473 3/20 0.49
CXCR4 P61073 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HRH3 Q9Y5N1 1/20 0.46
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
GSK3B P49841 1/20 0.44
TBXA2R P21731 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
SCHEMBL9302639 0.92 PTAFR (0.64) GALR3NR2F2PTAFRTNFRAB9A
SCHEMBL9302593 0.91 PTAFR (0.62) GALR3NR2F2PTAFRTNFRAB9A
SCHEMBL9302294 0.90 GALR3 (0.67) GALR3NR2F2PTAFRTNFRAB9A
SCHEMBL9302637 0.86 PTAFR (0.57) GALR3NR2F2PTAFRTNFRAB9A
SCHEMBL9303024 0.85 PTAFR (0.58) GALR3NR2F2PTAFRTNFRAB9A
SCHEMBL12771519 0.82 GALR3 (1.00) GALR3NR2F2TNFRAB9AHDAC1
SCHEMBL9302023 0.80 PTAFR (0.66) GALR3NR2F2PTAFRTNFRAB9A
SCHEMBL9303788 0.80 TNF (0.61) GALR3NR2F2PTAFRTNFRAB9A
SCHEMBL9302841 0.78 CNR2 (0.59) GALR3NR2F2PTAFRTNFRAB9A
SCHEMBL9299088 0.77 PTAFR (0.62) GALR3NR2F2PTAFRTNFRAB9A

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 4 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
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO disclosed