SCHEMBL4835978

SCHEMBL4835978

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 3/20 0.44
KIFC1 Q9BW19 1/20 0.42
TOP2A P11388 4/20 0.37
S1PR1 P21453 3/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
FOXO1 Q12778 1/20 0.34
WDR5 P61964 1/20 0.34
HDAC4 P56524 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33

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
SCHEMBL3462357 0.81 CENPE (0.51) CENPEKIFC1S1PR1S1PR3S1PR5
SCHEMBL13161750 0.81 CENPE (0.51) CENPEKIFC1S1PR1S1PR3S1PR5
SCHEMBL4835982 0.81 CENPE (0.46) CENPEKIFC1S1PR1S1PR3S1PR5
SCHEMBL4718875 0.78 CENPE (0.45) CENPEKIFC1TOP2AS1PR1S1PR3
SCHEMBL4876587 0.76 S1PR1 (0.39) CENPES1PR1S1PR3S1PR5
SCHEMBL4880118 0.76 S1PR1 (0.37) CENPEKIFC1TOP2AS1PR1S1PR3
SCHEMBL4722945 0.75 CENPE (0.38) CENPEKIFC1TOP2AS1PR1S1PR3
SCHEMBL4718275 0.75 CENPE (0.47) CENPEKIFC1TOP2AS1PR1S1PR3
SCHEMBL4718240 0.75 CENPE (0.47) CENPEKIFC1TOP2AS1PR1S1PR3
SCHEMBL2630556 0.75 CENPE (0.46) CENPEKIFC1TOP2AS1PR1TAS1R3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742907-A4 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-01-02 EP disclosed
EP-1742907-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2007-01-17 EP disclosed
WO-2005107762-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2005-11-17 WO disclosed