SCHEMBL9655142

SCHEMBL9655142

CC(=O)c1cc(Oc2ccc(F)cc2F)c(NS(C)(=O)=O)cc1C

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.55
BRD4 O60885 10/20 0.49
CCR2 P41597 1/20 0.43
SCN9A Q15858 2/20 0.43
EP300 Q09472 1/20 0.42
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.39
MAPK8 P45983 1/20 0.38

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
SCHEMBL10415449 0.88 PTGS2 (0.55) PTGS2BRD4CCR2SCN9AEP300
SCHEMBL9656995 0.84 PTGS2 (0.56) PTGS2BRD4CCR2EP300ALDH1A1
SCHEMBL29748830 0.83 PTGS2 (0.55) PTGS2BRD4CCR2EP300ALDH1A1
SCHEMBL441676 0.83 PTGS2 (0.55) PTGS2BRD4CCR2EP300ALDH1A1
SCHEMBL9656846 0.83 PTGS2 (0.53) PTGS2BRD4CCR2ALDH1A1
SCHEMBL9656891 0.80 PTGS2 (0.56) PTGS2BRD4EP300
SCHEMBL9656728 0.79 PTGS2 (0.53) PTGS2BRD4CCR2SCN9AEP300
SCHEMBL9657518 0.79 PTGS2 (0.55) PTGS2BRD4CCR2ALDH1A1
SCHEMBL16047515 0.78 PTGS2 (0.62) PTGS2BRD4CCR2EP300ALDH1A1
SCHEMBL10416533 0.78 PTGS2 (0.59) PTGS2BRD4CCR2EP300ALDH1A1

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-0273369-B1 NEW ALKANESULFONANILIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-03-04 EP disclosed
US-4866091-A ANTINFLAMMATORY AGENTS, ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-09-12 US disclosed