SCHEMBL13359263

SCHEMBL13359263

COc1c(NC(=O)c2cc3cccc([N+](=O)[O-])c3n2C)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.54
LYN P07948 1/20 0.44
MAPK9 P45984 1/20 0.44
BRAF P15056 4/20 0.41
SCARB1 Q8WTV0 2/20 0.40
FBP1 P09467 3/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL13359157 0.90 MAPK14 (0.53) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL1302196 0.87 MAPK14 (0.57) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL1302956 0.87 MAPK14 (0.58) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13798002 0.87 MAPK14 (0.58) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13798005 0.86 MAPK14 (0.59) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13359214 0.86 MAPK14 (0.59) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL1303140 0.86 MAPK14 (0.58) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL1302347 0.84 MAPK14 (0.56) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL1302236 0.84 MAPK14 (0.58) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13810719 0.84 MAPK14 (0.56) MAPK14LYNMAPK9BRAFSCARB1

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-1497278-B1 HETEROCYCLIC AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2010-05-26 EP disclosed
US-7550461-B2 Benzofuran and benzothiophene compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed
US-7550461-B2 Benzofuran and benzothiophene compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed