SCHEMBL9958902

SCHEMBL9958902

CC(C)Oc1ccc(C(=O)N[C@H](CCC(N)=O)Cc2ccc(-c3cn4cccc(C(C)O)c4n3)cc2)cc1C#N.CC(C)Oc1ccc(C(=O)N[C@H](CCC(N)=O)Cc2ccc(-c3cn4cccc(C(C)O)c4n3)cc2)cc1Cl.CC(C)Oc1ccc(C(=O)N[C@H](CCO)Cc2ccc(-c3cn4cccc(C(O)C(C)C)c4n3)cc2)cc1Cl.Cc1cccn2c(F)c(-c3ccc(C[C@@H](CCO)NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)nc12.Cc1cccn2c(F)c(-c3ccc(C[C@@H](CCO)NC(=O)c4ccc(OC(C)C)c(Cl)c4)cc3)nc12

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 2/20 0.65
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL14859905 0.90 CENPE (0.59) CENPE
SCHEMBL3467520 0.86 CENPE (0.66) CENPEKDM4EALDH1A1MAPTHPGD
SCHEMBL3461347 0.84 CENPE (0.73) CENPEKDM4EALDH1A1MAPTHPGD
SCHEMBL2104989 0.84 CENPE (0.73) CENPEKDM4EALDH1A1MAPTHPGD
SCHEMBL3461739 0.83 CENPE (0.67) CENPEKDM4EALDH1A1MAPTHPGD
SCHEMBL2103611 0.82 CENPE (0.84) CENPEKDM4EALDH1A1MAPTHPGD
SCHEMBL2101424 0.82 CENPE (0.84) CENPEKDM4EALDH1A1MAPTHPGD
SCHEMBL2105380 0.82 CENPE (0.73) CENPEKDM4EALDH1A1MAPTHPGD
SCHEMBL2106126 0.82 CENPE (0.84) CENPEKDM4EALDH1A1MAPTHPGD
SCHEMBL3461906 0.82 CENPE (0.74) CENPEKDM4EALDH1A1MAPTHPGD

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
US-8207340-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-06-26 US disclosed