SCHEMBL7972882

SCHEMBL7972882

Cc1cc(-c2cccc(N(C)C)c2)c(-c2ccc(S(C)(=O)=O)cc2)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.47
PTGS1 P23219 1/20 0.46
MAPK14 Q16539 2/20 0.42
MAPK13 O15264 1/20 0.40
RAF1 P04049 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 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
SCHEMBL7986247 0.89 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL7986480 0.87 PTGS2 (0.54) PTGS2PTGS1MAPK14MAPK13RAF1
SCHEMBL7983488 0.84 MAPK14 (0.54) PTGS2PTGS1MAPK14MAPK13RAF1
SCHEMBL7982199 0.82 PTGS2 (0.59) PTGS2PTGS1MAPK14MAPK13RAF1
SCHEMBL7985927 0.82 PTGS2 (0.58) PTGS2PTGS1
Dimethylamine SCHEMBL7985933 0.81 MAPK14 (0.51) PTGS2PTGS1MAPK14MAPK13RAF1
SCHEMBL7985931 0.81 PTGS2 (0.48) PTGS2PTGS1MAPK14MAPK13RAF1
SCHEMBL7984583 0.80 PTGS2 (0.51) PTGS2PTGS1MAPK14
SCHEMBL7981972 0.80 PTGS2 (0.51) PTGS2PTGS1MAPK14MAPK13RAF1
Dimethylamine SCHEMBL7986172 0.79 PTGS2 (0.55) 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 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