SCHEMBL13457193

SCHEMBL13457193

COc1ccc(CSc2cc(Br)ccc2NC(=O)C2COc3ccc(OC)cc3C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 5/20 0.58
▸ LMNA P02545 3/20 0.57
▸ MAPT P10636 2/20 0.56
▸ POLB P06746 1/20 0.56
▸ ROCK2 O75116 8/20 0.53
▸ ROCK1 Q13464 4/20 0.50
▸ CDC42BPA Q5VT25 4/20 0.49
▸ RPS6KB1 P23443 1/20 0.47

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
SCHEMBL1987445 0.90 LMNA (0.57) TP53LMNAMAPTPOLBROCK2
SCHEMBL1986880 0.84 ROCK2 (0.75) ROCK2ROCK1CDC42BPARPS6KB1
SCHEMBL13457441 0.84 LMNA (0.66) TP53LMNAMAPTPOLBROCK2
SCHEMBL1986458 0.84 ROCK2 (0.69) TP53LMNAMAPTPOLBROCK2
SCHEMBL12562339 0.82 ROCK2 (0.71) ROCK2ROCK1CDC42BPARPS6KB1
SCHEMBL12602025 0.79 ROCK2 (0.67) ROCK2ROCK1CDC42BPARPS6KB1
SCHEMBL12562095 0.79 TP53 (0.77) TP53LMNAMAPTPOLBROCK2
SCHEMBL1984889 0.74 ROCK2 (0.75) ROCK2ROCK1CDC42BPARPS6KB1
SCHEMBL12562389 0.74 ROCK2 (0.76) TP53LMNAMAPTROCK2ROCK1
SCHEMBL1987125 0.73 ROCK2 (0.68) TP53LMNAMAPTROCK2ROCK1

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-2010024903-A1 BENZO[d]OXAZOLES AND BENZO[d]THIAZOLES AS KINASE INHIBITORS FENG YANGBO (US) 2010-03-04 — — WO disclosed
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