SCHEMBL4838720

SCHEMBL4838720

CC(=O)c1nc(-c2ccc(CC(CCO)NC(=O)c3ccc(OC(C)C)c(C#N)c3)cc2)c(C)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 1/20 0.62
S1PR1 P21453 10/20 0.42
S1PR5 Q9H228 7/20 0.39
S1PR3 Q99500 3/20 0.39
XDH P47989 5/20 0.39

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
SCHEMBL3461855 0.83 CENPE (0.61) CENPES1PR1S1PR5S1PR3XDH
SCHEMBL13161979 0.83 CENPE (0.61) CENPES1PR1S1PR5S1PR3XDH
SCHEMBL14531634 0.81 CENPE (0.64) CENPES1PR1S1PR5S1PR3XDH
SCHEMBL2617273 0.81 CENPE (0.64) CENPES1PR1S1PR5S1PR3XDH
SCHEMBL3461448 0.81 CENPE (0.65) CENPES1PR1S1PR5S1PR3XDH
SCHEMBL13161815 0.81 CENPE (0.65) CENPES1PR1S1PR5S1PR3XDH
SCHEMBL3461841 0.80 CENPE (0.70) CENPES1PR1S1PR5S1PR3XDH
SCHEMBL13162058 0.80 CENPE (0.64) CENPES1PR1S1PR5S1PR3XDH
SCHEMBL13161539 0.80 CENPE (0.70) CENPES1PR1S1PR5S1PR3XDH
SCHEMBL3462485 0.80 CENPE (0.64) CENPES1PR1S1PR5S1PR3XDH

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