SCHEMBL4722945

SCHEMBL4722945

Cc1[nH]c(C(C)(C)C)nc1-c1ccc(CN(Cc2ccccc2O)NC(=O)c2ccc(OC(C)C)c(Cl)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 2/20 0.38
FOXO1 Q12778 1/20 0.37
KIFC1 Q9BW19 1/20 0.36
TOP2A P11388 2/20 0.34
WDR5 P61964 1/20 0.34
S1PR1 P21453 5/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
P2RX3 P56373 6/20 0.33
MAP4K4 O95819 1/20 0.32
MINK1 Q8N4C8 1/20 0.32
ROCK2 O75116 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
SCHEMBL2104386 0.82 CENPE (0.42) CENPEKIFC1WDR5S1PR1P2RX3
SCHEMBL5569230 0.81 CENPE (0.37) CENPEKIFC1WDR5S1PR1P2RX3
SCHEMBL2630625 0.77 CENPE (0.41) CENPEKIFC1WDR5S1PR1P2RX3
SCHEMBL4835978 0.75 CENPE (0.44) CENPEFOXO1KIFC1TOP2AWDR5
SCHEMBL2105714 0.74 KIFC1 (0.38) CENPEKIFC1WDR5S1PR1S1PR3
SCHEMBL4880118 0.73 S1PR1 (0.37) CENPEFOXO1KIFC1TOP2AS1PR1
SCHEMBL2104482 0.71 HPSE (0.46) FOXO1
SCHEMBL4876587 0.70 S1PR1 (0.39) CENPES1PR1S1PR3S1PR5P2RX3
SCHEMBL4777470 0.70 S1PR1 (0.38) S1PR1S1PR3S1PR5MAP4K4MINK1
SCHEMBL2104984 0.69 CENPE (0.41) CENPEKIFC1S1PR1P2RX3MAP4K4

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 disclosed
WO-2007056469-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed