SCHEMBL3235694

SCHEMBL3235694

COc1ccc2c(c1)CC(c1cccc(-c3ccncc3)c1)CO2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 12/20 0.48
▸ ROCK1 Q13464 3/20 0.48
▸ ALOX15 P16050 2/20 0.47
▸ ALOX12 P18054 2/20 0.47
▸ MTNR1A P48039 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ALOX15B O15296 1/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ BRAF P15056 1/20 0.41
▸ AKT1 P31749 1/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ MAPK10 P53779 1/20 0.41

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
SCHEMBL13457185 0.77 ROCK2 (0.77) ROCK2ROCK1MAPK10
SCHEMBL3262426 0.77 ROCK2 (0.71) ROCK2ROCK1
SCHEMBL1519127 0.77 ROCK2 (0.62) ROCK2ROCK1AKT1MAPK8MAPK10
SCHEMBL3359796 0.76 ROCK2 (0.51) ROCK2ROCK1ALOX15ALOX12MTNR1A
SCHEMBL3356239 0.75 ROCK2 (0.56) ROCK2ROCK1ALOX15ALOX12MTNR1A
SCHEMBL1519296 0.75 ROCK2 (0.56) ROCK2ROCK1BRAFAKT1MAPK8
SCHEMBL21594807 0.74 CYP19A1 (0.54) ALOX15ALOX12LMNAALOX15BCYP19A1
SCHEMBL3239971 0.74 ROCK2 (0.56) ROCK2ROCK1AKT1MAPK8MAPK10
SCHEMBL1648128 0.72 ROCK2 (0.46) ROCK2ROCK1MTNR1AAKT1MAPK8
SCHEMBL1519397 0.72 ROCK2 (0.55) ROCK2ROCK1BRAFAKT1MAPK8

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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