SCHEMBL4717550

SCHEMBL4717550

CCc1[nH]c(C(C)(C)O)nc1-c1ccc(C[C@@H](CNC(=O)CN2CCOCC2)NC(=O)c2ccc(OC(C)C)c(Cl)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 3/20 0.45
KIFC1 Q9BW19 1/20 0.36
P2RX3 P56373 5/20 0.36
KMT2A Q03164 1/20 0.34
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
HSD17B10 Q99714 1/20 0.33
MAP4K4 O95819 1/20 0.33
MINK1 Q8N4C8 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
S1PR1 P21453 3/20 0.33
ALDH1A1 P00352 1/20 0.33
WNT3A P56704 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
SCHEMBL3233694 0.83 CENPE (0.52) CENPEKIFC1P2RX3S1PR1WNT3A
SCHEMBL4722508 0.83 CENPE (0.45) CENPEKIFC1P2RX3MAP4K4MINK1
SCHEMBL4719622 0.79 CENPE (0.38) CENPEKIFC1P2RX3MAP4K4MINK1
SCHEMBL3221828 0.78 CENPE (0.46) CENPEKIFC1KMT2AWNT3A
SCHEMBL3233700 0.75 CENPE (0.43) CENPEKMT2ASMN1; SMN2WNT3A
SCHEMBL4718279 0.73 CENPE (0.46) CENPEKIFC1P2RX3MAP4K4MINK1
SCHEMBL3233756 0.72 CENPE (0.47) CENPEKIFC1S1PR1
SCHEMBL3220019 0.71 CENPE (0.48) CENPEKIFC1WNT3A
SCHEMBL3220035 0.71 CENPE (0.48) CENPEKIFC1WNT3A
SCHEMBL3223157 0.71 CENPE (0.52) CENPEKIFC1MAP4K4MINK1S1PR1

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