SCHEMBL4718240

SCHEMBL4718240

CC(=O)c1nc(-c2ccc(C[C@@H](CCOC(=O)CN(C)C)NC(=O)c3ccc(OC(C)C)c(Cl)c3)cc2)c(C)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 3/20 0.47
KIFC1 Q9BW19 1/20 0.44
TOP2A P11388 1/20 0.37
S1PR1 P21453 3/20 0.34
MAP4K4 O95819 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
TAS1R3 Q7RTX0 3/20 0.33
TAS1R1 Q7RTX1 3/20 0.33
FOXO1 Q12778 1/20 0.33
WDR5 P61964 1/20 0.33
ITGB3 P05106 2/20 0.32
ITGAV P06756 2/20 0.32
ITGB1 P05556 1/20 0.32
ITGA5 P08648 1/20 0.32
ITGB5 P18084 1/20 0.32
ITGB6 P18564 1/20 0.32
UTS2R Q9UKP6 1/20 0.32

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
SCHEMBL4718875 0.85 CENPE (0.45) CENPEKIFC1TOP2AS1PR1MAP4K4
SCHEMBL3229985 0.82 CENPE (0.54) CENPEKIFC1S1PR1MAP4K4MINK1
SCHEMBL3230000 0.82 CENPE (0.54) CENPEKIFC1S1PR1MAP4K4MINK1
SCHEMBL4718406 0.78 CENPE (0.39) CENPETOP2ATAS1R3TAS1R1FOXO1
SCHEMBL4718275 0.78 CENPE (0.47) CENPEKIFC1TOP2AS1PR1MAP4K4
SCHEMBL4838720 0.77 CENPE (0.62) CENPES1PR1S1PR3S1PR5
SCHEMBL4720739 0.77 CENPE (0.45) CENPEKIFC1TOP2AS1PR1MAP4K4
SCHEMBL4835978 0.75 CENPE (0.44) CENPEKIFC1TOP2AS1PR1S1PR3
SCHEMBL4718279 0.75 CENPE (0.46) CENPEKIFC1TOP2AS1PR1MAP4K4
SCHEMBL3229991 0.73 CENPE (0.45) CENPEKIFC1TAS1R3TAS1R1UTS2R

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
EP-1951719-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-08-06 EP claimed
WO-2007056469-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed