SCHEMBL13457441

SCHEMBL13457441

COc1ccc2c(c1)CC(C(=O)Nc1ccc(Br)cc1O)CO2

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.66
▸ TP53 P04637 5/20 0.64
▸ POLB P06746 1/20 0.64
▸ MAPT P10636 2/20 0.62
▸ ROCK2 O75116 9/20 0.61
▸ RPS6KB1 P23443 1/20 0.55
▸ ROCK1 Q13464 4/20 0.54
▸ CDC42BPA Q5VT25 3/20 0.53

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
SCHEMBL1986458 0.92 ROCK2 (0.69) LMNATP53POLBMAPTROCK2
SCHEMBL12562095 0.86 TP53 (0.77) LMNATP53POLBMAPTROCK2
SCHEMBL13457193 0.84 TP53 (0.58) LMNATP53POLBMAPTROCK2
SCHEMBL1987445 0.84 LMNA (0.57) LMNATP53POLBMAPTROCK2
SCHEMBL13456995 0.82 LMNA (0.58) LMNATP53POLBMAPTROCK2
SCHEMBL1986785 0.82 ROCK2 (0.86) ROCK2RPS6KB1ROCK1CDC42BPA
SCHEMBL1987655 0.80 ROCK2 (0.64) LMNATP53MAPTROCK2RPS6KB1
SCHEMBL12756749 0.79 TP53 (0.56) LMNATP53POLBMAPTROCK2
SCHEMBL1988309 0.78 ROCK2 (0.60) LMNATP53MAPTROCK2RPS6KB1
SCHEMBL12602331 0.78 TP53 (0.71) LMNATP53POLBMAPTROCK2

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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