SCHEMBL3714539

SCHEMBL3714539

NC(=O)c1ccc(-c2cn[nH]c2)cc1OCCc1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MELK Q14680 1/20 0.56
MKNK1 Q9BUB5 3/20 0.50
MKNK2 Q9HBH9 3/20 0.50
ROCK2 O75116 16/20 0.44
ROCK1 Q13464 13/20 0.43

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
SCHEMBL3714540 0.83 ROCK2 (0.60) MELKROCK2ROCK1
SCHEMBL3722812 0.79 MELK (0.55) MELKMKNK1MKNK2ROCK2ROCK1
SCHEMBL3713988 0.78 ROCK2 (0.69) MELKROCK2ROCK1
SCHEMBL3801724 0.78 HTT (0.54) MELKMKNK1MKNK2ROCK2ROCK1
SCHEMBL3711715 0.77 ROCK2 (0.54) MELKMKNK1MKNK2ROCK2ROCK1
SCHEMBL3714082 0.76 ROCK2 (0.57) MELKMKNK1MKNK2ROCK2ROCK1
SCHEMBL3808763 0.76 MELK (0.52) MELKMKNK1MKNK2ROCK2ROCK1
SCHEMBL3718197 0.75 ROCK2 (0.57) MELKMKNK1MKNK2ROCK2ROCK1
SCHEMBL3716304 0.75 CTNNB1 (0.52) MELKMKNK1MKNK2ROCK2ROCK1
SCHEMBL3656437 0.74 MKNK2 (0.61) MELKMKNK1MKNK2ROCK2ROCK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234618-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS The Scripps Research Institute (US) 2010-10-06 EP disclosed
WO-2009079008-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS FENG YANGBO (US) 2009-06-25 WO disclosed