SCHEMBL3249896

SCHEMBL3249896

Cc1ccccc1CNC(=O)Oc1ccc(-c2cn[nH]c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.53
ROCK1 Q13464 3/20 0.53
MAPT P10636 1/20 0.51
SCN2A Q99250 3/20 0.47
SCN10A Q9Y5Y9 3/20 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
SCHEMBL3263754 0.86 ROCK2 (0.70) ROCK2ROCK1
SCHEMBL3248267 0.83 ROCK2 (0.66) ROCK2ROCK1
SCHEMBL3245270 0.81 ROCK2 (0.76) ROCK2
SCHEMBL3244603 0.81 ROCK2 (0.58) ROCK2ROCK1
SCHEMBL28335753 0.79 ALDH1A1 (0.59) MAPT
SCHEMBL3246002 0.76 ROCK2 (0.72) ROCK2ROCK1
SCHEMBL3243298 0.75 ROCK2 (0.70) ROCK2ROCK1
SCHEMBL18741163 0.75 HPGD (0.66) ROCK2ROCK1MAPTSCN2ASCN10A
SCHEMBL3130229 0.74 ROCK2 (0.71) ROCK2ROCK1
SCHEMBL1647259 0.73 PRKACA (0.67) ROCK2ROCK1MAPT

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-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO claimed