SCHEMBL5494587

SCHEMBL5494587

COc1ccc(OC(=O)c2cc(NC(=O)c3cc(C(C)(C)C)cc(NS(C)(=O)=O)c3OC)cnc2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.42
BRAF P15056 5/20 0.39
F10 P00742 1/20 0.39
GSK3A P49840 7/20 0.38
SRC P12931 6/20 0.38
SYK P43405 6/20 0.38
LYN P07948 1/20 0.38
MAPK9 P45984 1/20 0.38
CYP3A4 P08684 1/20 0.37

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
SCHEMBL4416963 0.92 MAPK14 (0.44) MAPK14BRAFF10GSK3ASRC
SCHEMBL5497982 0.86 MAPK14 (0.52) MAPK14BRAFGSK3ASRCSYK
SCHEMBL4419919 0.84 SMN1; SMN2 (0.45) MAPK14BRAF
SCHEMBL4417785 0.83 MAPK14 (0.43) MAPK14BRAFF10GSK3ALYN
SCHEMBL4417851 0.82 MAPK14 (0.44) MAPK14F10GSK3ASRCSYK
SCHEMBL4416273 0.81 MAPK14 (0.41) MAPK14GSK3ASRCSYK
SCHEMBL5490019 0.80 RAB9A (0.42) MAPK14GSK3A
SCHEMBL4726185 0.79 BRAF (0.42) MAPK14BRAFGSK3ALYNMAPK9
SCHEMBL4408299 0.78 MAPK14 (0.42) MAPK14GSK3ASRCSYKCYP3A4
SCHEMBL14534449 0.77 LMNA (0.46)

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-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed