SCHEMBL9656995

SCHEMBL9656995

CC(=O)c1ccc(Oc2ccc(F)cc2F)c(NS(C)(=O)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.56
BRD4 O60885 7/20 0.47
CCR2 P41597 2/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
EP300 Q09472 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL29748830 0.91 PTGS2 (0.55) PTGS2BRD4CCR2ALDH1A1SMN1; SMN2
SCHEMBL441676 0.91 PTGS2 (0.55) PTGS2BRD4CCR2ALDH1A1SMN1; SMN2
SCHEMBL9655142 0.84 PTGS2 (0.55) PTGS2BRD4CCR2ALDH1A1MAPT
SCHEMBL10416533 0.83 PTGS2 (0.59) PTGS2BRD4CCR2ALDH1A1EP300
SCHEMBL10415449 0.82 PTGS2 (0.55) PTGS2BRD4CCR2ALDH1A1MAPT
SCHEMBL9656728 0.82 PTGS2 (0.53) PTGS2BRD4CCR2ALDH1A1SMN1; SMN2
SCHEMBL9657518 0.81 PTGS2 (0.55) PTGS2BRD4CCR2ALDH1A1CYP1A2
SCHEMBL8524487 0.81 PTGS2 (0.59) PTGS2BRD4CCR2MAPTEP300
SCHEMBL9656981 0.81 PTGS2 (0.54) PTGS2BRD4CCR2ALDH1A1SMN1; SMN2
SCHEMBL9656825 0.81 PTGS2 (0.54) PTGS2BRD4CCR2ALDH1A1CYP1A2

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