SCHEMBL8637646

SCHEMBL8637646

NS(=O)(=O)c1ccccc1-n1nc(C(F)(F)F)c(F)c1-c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.56
PTGS1 P23219 6/20 0.56
F10 P00742 4/20 0.49

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
SCHEMBL8689482 0.91 PTGS2 (0.67) PTGS2PTGS1F10
SCHEMBL6455707 0.90 PTGS2 (0.65) PTGS2PTGS1F10
SCHEMBL8640287 0.88 PTGS2 (0.66) PTGS2PTGS1F10
SCHEMBL8689004 0.85 PTGS2 (0.68) PTGS2PTGS1F10
Benzenesulfonamide SCHEMBL7773919 0.85 PTGS2 (0.68) PTGS2PTGS1F10
SCHEMBL8423990 0.85 CNR1 (0.40) PTGS2PTGS1F10
SCHEMBL8421862 0.82 PTGS2 (0.44) PTGS2PTGS1F10
SCHEMBL8639077 0.80 PTGS2 (0.53) PTGS2PTGS1F10
SCHEMBL8981444 0.79 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL8688423 0.78 PTGS2 (0.54) PTGS2PTGS1F10

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
US-5753688-A ANTIINFLAMMATORY TALLEY JOHN J (US) 1998-05-19 US disclosed
US-5504215-A Substituted pyrazolyl benzenesulfonamide compounds for the treatment of inflammation G. D. SEARLE & CO. (US) 1996-04-02 US disclosed