SCHEMBL4772000

SCHEMBL4772000

CCOC(=O)NCCc1nc(-c2ccc(CC(O)CCNC(=O)c3ccc(OC(C)C(F)(F)F)c(Cl)c3)cc2)cn1CC

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 1/20 0.37
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.36
KIFC1 Q9BW19 1/20 0.35
TP53 P04637 2/20 0.35
RORC P51449 2/20 0.33
S1PR1 P21453 2/20 0.32
BCHE P06276 2/20 0.32
NAMPT P43490 1/20 0.32
CNR2 P34972 1/20 0.32
TPH1 P17752 1/20 0.32
RAB9A P51151 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 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
SCHEMBL361204 0.93 NPC1 (0.38) CENPENPC1MAPTKIFC1TP53
SCHEMBL4767596 0.79 CENPE (0.44) CENPENPC1MAPTKIFC1S1PR1
SCHEMBL13161839 0.76 CENPE (0.46) CENPENPC1KIFC1RORCS1PR1
SCHEMBL2103734 0.76 CENPE (0.46) CENPENPC1KIFC1RORCS1PR1
SCHEMBL4774663 0.75 CENPE (0.44) CENPEMAPTKIFC1TP53S1PR1
SCHEMBL14031344 0.73 CENPE (0.46) CENPENPC1KIFC1RORCS1PR1
SCHEMBL3463338 0.73 CENPE (0.46) CENPENPC1KIFC1RORCS1PR1
SCHEMBL13161547 0.73 CENPE (0.46) CENPENPC1KIFC1RORCS1PR1
SCHEMBL3461552 0.72 CENPE (0.47) CENPENPC1KIFC1RORCS1PR1
SCHEMBL13161799 0.72 CENPE (0.47) CENPENPC1KIFC1RORCS1PR1

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