SCHEMBL4718875

SCHEMBL4718875

[CH2]C[C@@H](Cc1ccc(-c2nc(C(C)=O)[nH]c2C)cc1)NC(=O)c1ccc(OC(C)C)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 3/20 0.45
KIFC1 Q9BW19 1/20 0.42
TOP2A P11388 3/20 0.40
TAS1R3 Q7RTX0 4/20 0.38
TAS1R1 Q7RTX1 4/20 0.38
S1PR1 P21453 4/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
FOXO1 Q12778 1/20 0.37
MAP4K4 O95819 1/20 0.34
MINK1 Q8N4C8 1/20 0.34

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
SCHEMBL4718240 0.85 CENPE (0.47) CENPEKIFC1TOP2ATAS1R3TAS1R1
SCHEMBL4718275 0.84 CENPE (0.47) CENPEKIFC1TOP2ATAS1R3TAS1R1
SCHEMBL4718279 0.81 CENPE (0.46) CENPEKIFC1TOP2ATAS1R3TAS1R1
SCHEMBL4718406 0.80 CENPE (0.39) CENPETOP2ATAS1R3TAS1R1FOXO1
SCHEMBL4838720 0.80 CENPE (0.62) CENPES1PR1S1PR3S1PR5
SCHEMBL3233577 0.79 CENPE (0.52) CENPEKIFC1TAS1R3TAS1R1S1PR1
SCHEMBL4762148 0.79 CENPE (0.52) CENPEKIFC1TAS1R3TAS1R1S1PR1
SCHEMBL4720739 0.78 CENPE (0.45) CENPEKIFC1TOP2ATAS1R3TAS1R1
SCHEMBL4835978 0.78 CENPE (0.44) CENPEKIFC1TOP2ATAS1R3TAS1R1
SCHEMBL13644414 0.76 CENPE (0.47) CENPEKIFC1TOP2ATAS1R3TAS1R1

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 4 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
EP-1951719-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-08-06 EP disclosed
WO-2007056469-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed