SCHEMBL7488369

SCHEMBL7488369

CS(=O)(=O)c1ccc(-c2nc(C(N)(C(F)(F)F)C(F)(F)F)[nH]c2-c2ccc(F)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.64
PTGS1 P23219 7/20 0.64
ALOX5 P09917 3/20 0.58
MAPK11 Q15759 2/20 0.58
MAPK14 Q16539 2/20 0.58
ALDH1A1 P00352 1/20 0.58
CSNK1A1 P48729 1/20 0.58
CSNK1D P48730 1/20 0.58
CSNK1E P49674 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CSNK1A1L Q8N752 1/20 0.58
BRAF P15056 1/20 0.49
MAPK13 O15264 1/20 0.46
RAF1 P04049 1/20 0.46
MAPK9 P45984 1/20 0.46
MAPK12 P53778 1/20 0.46

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
SCHEMBL11087266 1.00 PTGS2 (0.64) PTGS2PTGS1ALOX5MAPK11MAPK14
SCHEMBL11090108 0.91 PTGS1 (0.62) PTGS2PTGS1ALOX5MAPK11MAPK14
SCHEMBL213705 0.88 PTGS2 (0.70) PTGS2PTGS1ALOX5MAPK11MAPK14
SCHEMBL5698511 0.88 PTGS2 (0.70) PTGS2PTGS1ALOX5MAPK11MAPK14
SCHEMBL11082923 0.87 BRAF (0.57) PTGS2PTGS1ALOX5MAPK11MAPK14
SCHEMBL7085273 0.86 PTGS2 (0.68) PTGS2PTGS1ALOX5MAPK11MAPK14
SCHEMBL7480312 0.86 PTGS2 (0.64) PTGS2PTGS1ALOX5MAPK11MAPK14
SCHEMBL7090719 0.86 PTGS2 (0.64) PTGS2PTGS1ALOX5MAPK11MAPK14
SCHEMBL7085602 0.85 PTGS2 (0.62) PTGS2PTGS1ALOX5MAPK11MAPK14
SCHEMBL11083042 0.81 BRAF (0.49) PTGS2PTGS1ALOX5MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0772601-B1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-09-18 EP disclosed
US-6426360-B1 ANTIARTHRITIC AGENTS G D SEARLE & CO. 2002-07-30 US disclosed
EP-1211244-A2 4,5-substitued imidazolyl compounds for the treatment of inflammation G.D. Searle & Co. (US) 2002-06-05 EP disclosed
US-5620999-A ANTIARTHRITIC, ANALGESIC AND ANTIPYRATIC AGENT G.D. SEARLE & CO. 1997-04-15 US disclosed
WO-1996003387-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed