SCHEMBL9548974

SCHEMBL9548974

Cc1nc2ccccc2n1Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@@H](C)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 3/20 0.51
TNF P01375 1/20 0.50
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
GALR3 O60755 2/20 0.45
NR2F2 P24468 2/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
RORC P51449 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
APAF1 O14727 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
GSK3B P49841 1/20 0.42
AGTR1 P30556 1/20 0.42
AGTR2 P50052 1/20 0.42
PDE6D O43924 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
SCHEMBL9548928 0.93 PTAFR (0.53) PTAFRTNFHDAC1HDAC6GALR3
SCHEMBL8130928 0.91 PTAFR (0.52) PTAFRTNFHDAC1HDAC6GALR3
SCHEMBL9548942 0.89 PTAFR (0.56) PTAFRTNFHDAC1HDAC6GALR3
SCHEMBL9548902 0.89 PTAFR (0.50) PTAFRTNFHDAC1HDAC6GALR3
SCHEMBL9548907 0.87 PTAFR (0.52) PTAFRTNFHDAC1HDAC6GALR3
SCHEMBL9548901 0.80 PTAFR (0.47) PTAFRTNFHDAC1HDAC6GALR3
SCHEMBL8131799 0.78 PTAFR (0.50) PTAFRTNFHDAC1HDAC6GALR3
SCHEMBL8134511 0.78 TNF (0.51) PTAFRTNFHDAC1HDAC6GALR3
SCHEMBL9302023 0.77 PTAFR (0.66) PTAFRTNFHDAC1HDAC6GALR3
SCHEMBL9303788 0.77 TNF (0.61) PTAFRTNFHDAC1HDAC6GALR3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543858-A1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND APPLICATION BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1993-06-02 EP claimed
EP-0543858-A1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND APPLICATION BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1993-06-02 EP disclosed