SCHEMBL1935910

SCHEMBL1935910

COC(=O)Oc1nccc(Oc2cc(C)cc(C(=O)Nc3cc(C(C)(C)C)cc(NS(C)(=O)=O)c3OC)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.46
BRAF P15056 2/20 0.46
GSK3A P49840 13/20 0.45
SRC P12931 7/20 0.45
SYK P43405 7/20 0.45
CYP3A4 P08684 1/20 0.43
LYN P07948 1/20 0.43
MAPK9 P45984 1/20 0.43

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
SCHEMBL1936512 0.95 MAPK14 (0.47) MAPK14BRAFGSK3ASRCSYK
SCHEMBL1936877 0.89 MAPK14 (0.49) MAPK14BRAFGSK3ASRCSYK
SCHEMBL2671405 0.88 MAPK14 (0.47) MAPK14BRAFGSK3ASRCSYK
SCHEMBL1936510 0.88 MAPK14 (0.47) MAPK14BRAFGSK3ASRCSYK
SCHEMBL1935811 0.87 MAPK14 (0.47) MAPK14BRAFGSK3ASRCSYK
SCHEMBL1936181 0.86 BRAF (0.53) MAPK14BRAF
SCHEMBL1936256 0.86 MAPK14 (0.46) MAPK14BRAFGSK3ASRCSYK
SCHEMBL1935992 0.86 GSK3A (0.47) MAPK14BRAFGSK3ASRCSYK
SCHEMBL1935948 0.84 MAPK14 (0.47) MAPK14BRAFGSK3ASRCSYK
SCHEMBL1936534 0.82 MAPK14 (0.51) MAPK14BRAFGSK3ASRCSYK

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