SCHEMBL5010295

SCHEMBL5010295

COc1c(NC(=O)c2ccc(C)cc2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.61
BRAF P15056 14/20 0.56
LYN P07948 1/20 0.51
MAPK9 P45984 1/20 0.51
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL12764355 0.89 BRAF (0.62) MAPK14BRAF
SCHEMBL13130530 0.87 BRAF (0.60) MAPK14BRAF
SCHEMBL1936141 0.87 BRAF (0.60) MAPK14BRAF
SCHEMBL13797991 0.86 MAPK14 (0.67) MAPK14BRAFLYNMAPK9
SCHEMBL10104561 0.86 BRAF (0.59) MAPK14BRAF
SCHEMBL1934598 0.85 MAPK14 (0.58) MAPK14BRAFLYNMAPK9
SCHEMBL13130531 0.85 BRAF (0.58) MAPK14BRAF
SCHEMBL2670966 0.84 MAPK14 (0.57) MAPK14BRAFLYNMAPK9MEN1
SCHEMBL13797933 0.84 MAPK14 (0.68) MAPK14BRAFLYNMAPK9MEN1
SCHEMBL5163836 0.84 BRAF (0.62) MAPK14BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1887003-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) 2008-02-13 EP disclosed