SCHEMBL3116059

SCHEMBL3116059

COc1cccc(CN(C)C(=O)Nc2ccc(Br)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.67
ROCK1 Q13464 5/20 0.67
CYP2C9 P11712 3/20 0.67
CDC42BPA Q5VT25 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.59
POLB P06746 2/20 0.59
GAA P10253 1/20 0.54
HSD17B2 P37059 1/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
FPR1 P21462 1/20 0.49
FPR3 P25089 1/20 0.49
FPR2 P25090 1/20 0.49
HIF1A Q16665 1/20 0.49

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
SCHEMBL19661646 0.87 POLB (0.55) ROCK2ROCK1CYP2C9CDC42BPASMN1; SMN2
SCHEMBL20511561 0.84 ROCK2 (0.69) ROCK2ROCK1CYP2C9CDC42BPASMN1; SMN2
SCHEMBL12688033 0.81 HSD17B2 (0.75) POLBHSD17B2MEN1KMT2A
SCHEMBL3119081 0.81 BAZ1A (0.64) ROCK2ROCK1CYP2C9CDC42BPASMN1; SMN2
SCHEMBL3253046 0.80 ROCK2 (1.00) ROCK2ROCK1CYP2C9CDC42BPACYP3A4
SCHEMBL19759552 0.80 ROCK2 (0.53) ROCK2ROCK1CYP2C9CDC42BPASMN1; SMN2
SCHEMBL29140953 0.79 MTOR (0.65) ROCK2ROCK1CYP2C9CDC42BPASMN1; SMN2
SCHEMBL17912910 0.77 ROCK2 (0.51) ROCK2ROCK1CYP2C9CDC42BPASMN1; SMN2
SCHEMBL6417242 0.76 HSD17B2 (0.63) ROCK2ROCK1CYP2C9CDC42BPASMN1; SMN2
SCHEMBL29804304 0.75 ROCK2 (0.67) ROCK2ROCK1CYP2C9CDC42BPASMN1; SMN2

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 disclosed