SCHEMBL7984559

SCHEMBL7984559

CCN(CC)c1ccc(-c2cc(C)[nH]c2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.52
MAPK14 Q16539 2/20 0.44
MAPK13 O15264 1/20 0.44
RAF1 P04049 1/20 0.44
MAPK9 P45984 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
KDM1A O60341 6/20 0.43
GCGR P47871 1/20 0.41

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
SCHEMBL7986480 0.86 PTGS2 (0.54) PTGS2MAPK14MAPK13RAF1MAPK9
SCHEMBL7989315 0.83 PTGS2 (0.59) PTGS2MAPK14MAPK13RAF1MAPK9
SCHEMBL7981809 0.81 PTGS2 (0.77) PTGS2MAPK14MAPK13RAF1MAPK9
SCHEMBL7983135 0.81 PTGS2 (0.57) PTGS2MAPK14MAPK13RAF1MAPK9
SCHEMBL7983046 0.81 PTGS2 (0.60) PTGS2MAPK14MAPK13RAF1MAPK9
Diethylamine SCHEMBL7984563 0.80 PTGS2 (0.50) PTGS2
SCHEMBL7985910 0.78 PTGS2 (0.57) PTGS2MAPK14MAPK13RAF1MAPK9
SCHEMBL7985899 0.78 PTGS2 (0.54) PTGS2MAPK14MAPK13RAF1MAPK9
SCHEMBL7972034 0.78 PTGS2 (0.59) PTGS2MAPK14MAPK13RAF1MAPK9
SCHEMBL7981936 0.77 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