SCHEMBL3249574

SCHEMBL3249574

Cc1cccc(CNC(=O)Oc2ccc(-c3cn[nH]c3)cc2OCC(=O)N2CCOCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.49
ROCK1 Q13464 6/20 0.44
GAA P10253 2/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.41
USP2 O75604 1/20 0.41
FKBP1A P62942 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL3252655 0.84 ROCK2 (0.56) ROCK2ROCK1
SCHEMBL3249575 0.83 ROCK2 (0.43) ROCK2ROCK1GAAALDH1A1HPGD
SCHEMBL3247491 0.80 ROCK2 (0.55) ROCK2ROCK1
SCHEMBL3244445 0.78 ROCK2 (0.58) ROCK2ROCK1
SCHEMBL3251643 0.75 ROCK2 (0.45) ROCK2ROCK1GAAHPGDSMN1; SMN2
SCHEMBL3248059 0.74 ROCK2 (0.57) ROCK2ROCK1
SCHEMBL3248261 0.74 ROCK2 (0.65) ROCK2ROCK1
SCHEMBL3249765 0.71 ROCK2 (0.51) ROCK2ROCK1
SCHEMBL3244463 0.71 ROCK2 (0.42) ROCK2ROCK1ALDH1A1HPGDKDM4E
SCHEMBL3247209 0.70 ROCK2 (0.52) ROCK2ROCK1

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