SCHEMBL306177

SCHEMBL306177

CCc1c(-c2c[nH]c(-c3cc(C(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4C)ccc3C)n2)cnn1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.39
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
BRAF P15056 5/20 0.35
MAPK11 Q15759 2/20 0.35

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
SCHEMBL4031354 0.83 MAPK14 (0.39) MAPK14BRAFMAPK11
SCHEMBL4035041 0.76 BRAF (0.45) MAPK14BRAF
SCHEMBL4032953 0.75 BRAF (0.43) MAPK14BRAF
SCHEMBL13848860 0.74 BRAF (0.43) MAPK14BRAF
SCHEMBL4034585 0.70 BRAF (0.43) MAPK14BRAF
SCHEMBL4033769 0.70 MAPK14 (0.41) MAPK14ALDH1A1MAPK1MAPK11
SCHEMBL4036265 0.69 BRAF (0.42) MAPK14BRAF
SCHEMBL4037019 0.69 BRAF (0.42) MAPK14BRAF
SCHEMBL4031171 0.68 BRAF (0.46) MAPK14BRAF
SCHEMBL4015103 0.68 MAPK14 (0.38) MAPK14ALDH1A1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4850824-B2 2012-01-11 JP claimed
EP-1725544-A1 3-[4-HETEROCYCLYL-1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-11-29 EP claimed
WO-2005090333-A1 3-‘4-HETEROCYCLYL -1,2,3,-TRIAZOL-1-YL!-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-29 WO claimed