SCHEMBL9548902

SCHEMBL9548902

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 3/20 0.50
TNF P01375 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
GALR3 O60755 2/20 0.44
NR2F2 P24468 2/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
MMP10 P09238 1/20 0.43
MMP8 P22894 1/20 0.43
MMP12 P39900 1/20 0.43
AGTR1 P30556 1/20 0.43
AGTR2 P50052 1/20 0.43
APAF1 O14727 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
RORC P51449 1/20 0.41

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 0.90 PTAFR (0.52) PTAFRTNFHDAC1HDAC6GALR3
SCHEMBL9548928 0.90 PTAFR (0.53) PTAFRTNFHDAC1HDAC6GALR3
SCHEMBL9548974 0.89 PTAFR (0.51) PTAFRTNFHDAC1HDAC6GALR3
SCHEMBL9548942 0.88 PTAFR (0.56) PTAFRTNFHDAC1HDAC6GALR3
SCHEMBL9548907 0.86 PTAFR (0.52) PTAFRTNFHDAC1HDAC6GALR3
SCHEMBL8120494 0.80 HDAC1 (0.51) PTAFRTNFHDAC1HDAC6GALR3
SCHEMBL9548901 0.80 PTAFR (0.47) PTAFRTNFHDAC1HDAC6GALR3
SCHEMBL8130014 0.77 MAOA (0.51) PTAFRTNFHDAC1HDAC6GALR3
SCHEMBL9302023 0.77 PTAFR (0.66) PTAFRTNFHDAC1HDAC6GALR3
SCHEMBL9303788 0.74 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