SCHEMBL3714540

SCHEMBL3714540

Nc1ccc(-c2cn[nH]c2)cc1OCCc1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.60
MELK Q14680 1/20 0.45
ROCK1 Q13464 3/20 0.39
ALK Q9UM73 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AKT2 P31751 3/20 0.38
AKT1 P31749 1/20 0.38
KCNA5 P22460 1/20 0.37
HRH1 P35367 1/20 0.37
TYK2 P29597 1/20 0.37
SYK P43405 1/20 0.37

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
SCHEMBL3714539 0.83 MELK (0.56) ROCK2MELKROCK1
SCHEMBL3722814 0.76 ROCK2 (0.60) ROCK2MELKROCK1KDM4EMEN1
SCHEMBL3713992 0.75 ROCK2 (1.00) ROCK2ROCK1KDM4EMEN1ALDH1A1
SCHEMBL3801726 0.75 ROCK2 (0.69) ROCK2MELKROCK1KDM4EMEN1
SCHEMBL3711719 0.74 ROCK2 (0.67) ROCK2MELKROCK1AKT2AKT1
SCHEMBL3808767 0.73 ROCK2 (0.58) ROCK2MELKROCK1KDM4EMEN1
SCHEMBL3714084 0.73 ROCK2 (0.71) ROCK2MELKROCK1AKT1
SCHEMBL3718200 0.72 ROCK2 (0.61) ROCK2ROCK1HSD17B10
SCHEMBL25439122 0.72 ROCK2 (0.57) ROCK2ROCK1KDM4EMEN1ALDH1A1
SCHEMBL3716306 0.71 ROCK2 (0.53) ROCK2MELKROCK1ALKAKT2

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