SCHEMBL1935948

SCHEMBL1935948

COC(=O)Oc1nccc(Oc2cc(C(=O)Nc3cc(C(C)(C)C)cc(NS(C)(=O)=O)c3OC)ccc2Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.47
GSK3A P49840 11/20 0.47
SRC P12931 8/20 0.47
SYK P43405 8/20 0.47
BRAF P15056 4/20 0.47
CYP3A4 P08684 1/20 0.44
LYN P07948 1/20 0.44
MAPK9 P45984 1/20 0.44

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
SCHEMBL1936181 0.92 BRAF (0.53) MAPK14BRAF
SCHEMBL1936773 0.91 BRAF (0.51) MAPK14GSK3ASRCSYKBRAF
SCHEMBL1936356 0.88 MAPK14 (0.51) MAPK14GSK3ASRCSYKBRAF
SCHEMBL2671415 0.88 MAPK14 (0.48) MAPK14GSK3ASRCSYKBRAF
SCHEMBL1936732 0.87 MAPK14 (0.48) MAPK14GSK3ASRCSYKBRAF
SCHEMBL1936086 0.87 GSK3A (0.49) MAPK14GSK3ASRCSYKBRAF
SCHEMBL1935911 0.87 BRAF (0.51) MAPK14BRAF
SCHEMBL1936288 0.84 GSK3A (0.54) MAPK14GSK3ASRCSYKBRAF
SCHEMBL1935910 0.84 MAPK14 (0.46) MAPK14GSK3ASRCSYKBRAF
SCHEMBL1934475 0.83 BRAF (0.56) MAPK14GSK3ASRCSYKBRAF

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