SCHEMBL13456995

SCHEMBL13456995

COc1ccc2c(c1)CC(C(=O)Nc1ccc(B3OC(C)(C)C(C)(C)O3)cc1O)CO2

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.58
▸ TP53 P04637 5/20 0.56
▸ MAPT P10636 2/20 0.56
▸ ROCK2 O75116 8/20 0.55
▸ POLB P06746 1/20 0.53
▸ RPS6KB1 P23443 1/20 0.50
▸ ROCK1 Q13464 4/20 0.49
▸ CDC42BPA Q5VT25 4/20 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
SCHEMBL13457441 0.82 LMNA (0.66) LMNATP53MAPTROCK2POLB
SCHEMBL1986785 0.76 ROCK2 (0.86) ROCK2RPS6KB1ROCK1CDC42BPA
SCHEMBL1986458 0.76 ROCK2 (0.69) LMNATP53MAPTROCK2POLB
SCHEMBL1987655 0.74 ROCK2 (0.64) LMNATP53MAPTROCK2RPS6KB1
SCHEMBL1988309 0.73 ROCK2 (0.60) LMNATP53MAPTROCK2RPS6KB1
SCHEMBL12602331 0.72 TP53 (0.71) LMNATP53MAPTROCK2POLB
SCHEMBL12562095 0.72 TP53 (0.77) LMNATP53MAPTROCK2POLB
SCHEMBL1991091 0.71 ROCK2 (1.00) ROCK2RPS6KB1ROCK1CDC42BPA
SCHEMBL22165412 0.71 TP53 (0.63) LMNATP53MAPTROCK2POLB
SCHEMBL1519082 0.71 TP53 (0.63) LMNATP53MAPTROCK2POLB

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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