SCHEMBL3249575

SCHEMBL3249575

Cc1cccc(COC(=O)Nc2ccc(-c3cn[nH]c3)cc2OCC(=O)N2CCOCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
FKBP1A P62942 1/20 0.41
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
ROCK1 Q13464 2/20 0.40

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
SCHEMBL3251643 0.93 ROCK2 (0.45) ROCK2SMN1; SMN2HPGDGAAROCK1
SCHEMBL3247209 0.88 ROCK2 (0.52) ROCK2ROCK1
SCHEMBL3127371 0.87 ROCK2 (0.42) ROCK2ROCK1
SCHEMBL3244463 0.86 ROCK2 (0.42) ROCK2ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL3238931 0.85 ROCK2 (0.44) ROCK2ROCK1
SCHEMBL3248061 0.85 ROCK2 (0.53) ROCK2ROCK1
SCHEMBL3252660 0.84 ROCK2 (0.49) ROCK2ROCK1
SCHEMBL3248596 0.84 ROCK2 (0.53) ROCK2ROCK1
SCHEMBL3249574 0.83 ROCK2 (0.49) ROCK2ALDH1A1SMN1; SMN2USP2HPGD
SCHEMBL3252024 0.83 ROCK2 (0.50) 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 2 patents. 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
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO disclosed