SCHEMBL1936181

SCHEMBL1936181

COC(=O)Oc1nccc(Oc2cc(C(=O)Nc3cc(C(C)(C)C)cc(NS(C)(=O)=O)c3OC)ccc2C)n1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.53
MAPK14 Q16539 3/20 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
SCHEMBL1935948 0.92 MAPK14 (0.47) BRAFMAPK14
SCHEMBL1934475 0.89 BRAF (0.56) BRAFMAPK14
SCHEMBL2671063 0.88 BRAF (0.54) BRAFMAPK14
SCHEMBL1935773 0.88 BRAF (0.54) BRAFMAPK14
SCHEMBL1936737 0.87 BRAF (0.52) BRAFMAPK14
SCHEMBL1935930 0.87 BRAF (0.54) BRAFMAPK14
SCHEMBL1936661 0.87 BRAF (0.57) BRAF
SCHEMBL1935910 0.86 MAPK14 (0.46) BRAFMAPK14
SCHEMBL1934582 0.85 BRAF (0.54) BRAF
SCHEMBL15062880 0.84 BRAF (0.64) BRAFMAPK14

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
EP-2331506-B1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2013-07-03 EP disclosed
EP-2331506-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2011-06-15 EP disclosed
WO-2010026095-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO disclosed