SCHEMBL6032069

SCHEMBL6032069

Nc1ccc(-c2cn(Cc3cccc(C(=O)Nc4nc5c(s4)CC(N4CCc6ccccc64)CC5)c3)nn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 19/20 0.46
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PPARG P37231 1/20 0.43
KMT2A Q03164 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NCOA3 Q9Y6Q9 1/20 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
SCHEMBL2728632 0.92 ROCK2 (0.51) ROCK2KDM4EMEN1USP2CYP3A4
SCHEMBL6031656 0.89 ROCK2 (0.47) ROCK2KDM4EMEN1USP2CYP3A4
SCHEMBL6033337 0.87 ROCK2 (0.61) ROCK2
SCHEMBL6031225 0.83 ROCK2 (0.47) ROCK2
SCHEMBL6031918 0.82 ROCK2 (0.53) ROCK2
SCHEMBL6032453 0.81 ROCK2 (0.47) ROCK2
SCHEMBL10065676 0.81 ROCK2 (0.49) ROCK2KDM4EMEN1USP2CYP3A4
SCHEMBL2728687 0.81 ROCK2 (0.66) ROCK2
SCHEMBL2725363 0.80 ROCK2 (0.58) ROCK2
SCHEMBL6032831 0.80 ROCK2 (0.51) ROCK2

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-2012054367-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 WO disclosed