SCHEMBL7985840

SCHEMBL7985840

Cc1cc(-c2ccc(C#N)cc2)c(-c2ccc(S(C)(=O)=O)cc2)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.60
MAPK14 Q16539 3/20 0.45
MAPK13 O15264 1/20 0.45
RAF1 P04049 1/20 0.45
MAPK9 P45984 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
GCGR P47871 2/20 0.42
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 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
SCHEMBL7989315 0.84 PTGS2 (0.59) PTGS2MAPK14MAPK13RAF1MAPK9
SCHEMBL7983135 0.82 PTGS2 (0.57) PTGS2MAPK14MAPK13RAF1MAPK9
SCHEMBL7981809 0.82 PTGS2 (0.77) PTGS2MAPK14MAPK13RAF1MAPK9
SCHEMBL7983046 0.82 PTGS2 (0.60) PTGS2MAPK14MAPK13RAF1MAPK9
SCHEMBL7985899 0.80 PTGS2 (0.54) PTGS2MAPK14MAPK13RAF1MAPK9
SCHEMBL7986480 0.80 PTGS2 (0.54) PTGS2MAPK14MAPK13RAF1MAPK9
SCHEMBL7985910 0.80 PTGS2 (0.57) PTGS2MAPK14MAPK13RAF1MAPK9
SCHEMBL7972034 0.80 PTGS2 (0.59) PTGS2MAPK14MAPK13RAF1MAPK9
SCHEMBL7983372 0.78 PTGS2 (0.56) PTGS2MAPK14MAPK13RAF1MAPK9
SCHEMBL7981936 0.78 PTGS2 (0.60) PTGS2MAPK14MAPK13RAF1MAPK9

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-6294568-B1 ANTIINFLAMMATORY AGENTS AND ANTITUMOR AGENTS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENTS AND COX2 ENZYME INHIBITORS NISSIN FOOD PRODUCTS CO., LTD. (JP) 2001-09-25 US disclosed
EP-1048649-A1 5-ARYLPYRROLE DERIVATIVES NISSIN FOOD PRODUCTS CO., LTD. (JP) 2000-11-02 EP disclosed