SCHEMBL13495449

SCHEMBL13495449

Cc1ccc(NC(=O)Nc2sc(C(C)(C)C)cc2C(=O)N2CCNC(=O)C2(C)C)cc1-c1cc[n+](O)cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.49
RPS6KB1 P23443 2/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40

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
SCHEMBL3215072 0.93 MAPK14 (0.49) MAPK14RPS6KB1MAPK13MAPK12MAPK11
SCHEMBL3210149 0.91 MAPK14 (0.51) MAPK14RPS6KB1MAPK13MAPK12MAPK11
SCHEMBL13487789 0.88 MAPK14 (0.49) MAPK14RPS6KB1MAPK13MAPK12MAPK11
SCHEMBL3198172 0.87 MAPK14 (0.51) MAPK14RPS6KB1MAPK13MAPK12MAPK11
SCHEMBL3218628 0.87 MAPK14 (0.53) MAPK14RPS6KB1MAPK13MAPK12MAPK11
SCHEMBL3222738 0.86 MAPK14 (0.48) MAPK14RPS6KB1MAPK13MAPK12MAPK11
SCHEMBL3198272 0.86 MAPK14 (0.51) MAPK14RPS6KB1MAPK13MAPK12MAPK11
SCHEMBL13487649 0.86 MAPK14 (0.46) MAPK14RPS6KB1MAPK13MAPK12MAPK11
SCHEMBL3222718 0.85 MAPK14 (0.47) MAPK14RPS6KB1MAPK13MAPK12MAPK11
SCHEMBL3221037 0.85 MAPK14 (0.47) MAPK14RPS6KB1MAPK13MAPK12MAPK11

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
WO-2010019930-A1 UREA DERIVATIVES AS INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2010-02-18 WO disclosed