SCHEMBL8631395

SCHEMBL8631395

COc1ccc(-c2c(-c3ccccc3S(N)(=O)=O)nn(CC#N)c2C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.47
PTGS2 P35354 5/20 0.43
PTGS1 P23219 1/20 0.43
F2 P00734 2/20 0.40
PPARG P37231 1/20 0.37
HTT P42858 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NCOA3 Q9Y6Q9 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
SCHEMBL8632205 0.90 PTGS2 (0.45) F10PTGS2PTGS1F2
SCHEMBL8628841 0.89 PTGS2 (0.43) F10PTGS2PTGS1F2
SCHEMBL8630861 0.89 PTGS2 (0.53) F10PTGS2PTGS1F2
SCHEMBL8634613 0.89 PTGS2 (0.55) F10PTGS2PTGS1F2
SCHEMBL8631579 0.88 PTGS2 (0.42) F10PTGS2PTGS1F2
SCHEMBL8629107 0.87 PTGS2 (0.43) F10PTGS2PTGS1F2
SCHEMBL8631727 0.87 PTGS2 (0.44) F10PTGS2PTGS1F2NPSR1
SCHEMBL8631441 0.86 F10 (0.49) F10PTGS2PTGS1F2
SCHEMBL7778052 0.85 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL8631636 0.84 F10 (0.46) F10PTGS2PTGS1F2

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