SCHEMBL9548907

SCHEMBL9548907

CNC(=O)[C@H](C)N(c1ccccc1)S(=O)(=O)c1ccc(Cn2c(C)nc3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 3/20 0.52
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
TNF P01375 1/20 0.49
GALR3 O60755 2/20 0.47
NR2F2 P24468 2/20 0.47
RAB9A P51151 1/20 0.47
RORC P51449 1/20 0.45
APAF1 O14727 1/20 0.44
PPARG P37231 1/20 0.44
GAA P10253 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
ALDH1A1 P00352 2/20 0.43
NOD1 Q9Y239 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL8130928 0.91 PTAFR (0.52) PTAFRHDAC1HDAC6TNFGALR3
SCHEMBL9548942 0.91 PTAFR (0.56) PTAFRHDAC1HDAC6TNFGALR3
SCHEMBL9548928 0.89 PTAFR (0.53) PTAFRHDAC1HDAC6TNFGALR3
SCHEMBL9548974 0.87 PTAFR (0.51) PTAFRHDAC1HDAC6TNFGALR3
SCHEMBL9548901 0.87 PTAFR (0.47) PTAFRHDAC1HDAC6TNFGALR3
SCHEMBL9548902 0.86 PTAFR (0.50) PTAFRHDAC1HDAC6TNFGALR3
SCHEMBL9302023 0.79 PTAFR (0.66) PTAFRHDAC1HDAC6TNFGALR3
SCHEMBL8130040 0.77 TNF (0.53) PTAFRHDAC1HDAC6TNFGALR3
SCHEMBL9303788 0.76 TNF (0.61) PTAFRHDAC1HDAC6TNFGALR3
SCHEMBL8121857 0.76 HDAC1 (0.50) PTAFRHDAC1HDAC6TNFGALR3

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 3 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
WO-1992003423-A1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND APPLICATION BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-03-05 WO disclosed