SCHEMBL8633781

SCHEMBL8633781

NS(=O)(=O)c1ccccc1-c1nn(CCc2ccccc2)cc1-c1ccc(F)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.67
ADORA2A P29274 4/20 0.43
ADORA1 P30542 4/20 0.43
ADORA3 P0DMS8 3/20 0.43
PTGS1 P23219 2/20 0.42
PTGIR P43119 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
FAAH O00519 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
SCN9A Q15858 1/20 0.37

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
SCHEMBL8628183 0.89 PTGS2 (0.52) PTGS2PTGS1CA12CA1CA2
SCHEMBL7777242 0.87 PTGS2 (0.80) PTGS2ADORA2AADORA1ADORA3PTGS1
SCHEMBL8629226 0.86 PTGS2 (0.49) PTGS2PTGS1PTGIRCA12CA1
SCHEMBL8628794 0.85 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL8631051 0.84 PTGS2 (0.48) PTGS2PTGS1CA9
SCHEMBL8631461 0.83 PTGS2 (0.49) PTGS2PTGS1PTGIR
SCHEMBL8631613 0.81 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL216154 0.80 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8631182 0.80 PTGS2 (0.44) PTGS2ADORA2AADORA1ADORA3PTGIR
SCHEMBL8631026 0.80 CSNK1D (0.53) PTGS2PTGS1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed