SCHEMBL4792553

SCHEMBL4792553

Cc1cccc2[nH]c(-c3ccc(CC(CCO)NC(=O)c4ccc(OC(C)C)c(Cl)c4)cc3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 3/20 0.51
HPSE Q9Y251 4/20 0.49
MGAM O43451 5/20 0.42
GAA P10253 5/20 0.42
SI P14410 5/20 0.42
MGAM2 Q2M2H8 5/20 0.42
KIFC1 Q9BW19 1/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 2/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 1/20 0.42
APLNR P35414 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39
MME P08473 1/20 0.39
VSIR Q9H7M9 1/20 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
SCHEMBL2104601 1.00 CENPE (0.51) CENPEHPSEMGAMGAASI
SCHEMBL2105475 0.88 CENPE (0.48) CENPEHPSEKDM4ENPC1ALDH1A1
SCHEMBL2104691 0.88 CENPE (0.49) CENPEHPSEGAAKIFC1KDM4E
SCHEMBL2104165 0.85 CENPE (0.46) CENPEHPSEKIFC1
SCHEMBL13644431 0.84 CENPE (0.45) CENPEHPSEKIFC1HPGDSMN1; SMN2
SCHEMBL4400479 0.84 CENPE (0.45) CENPEHPSEKIFC1MME
SCHEMBL2103765 0.84 CENPE (0.45) CENPEHPSEKIFC1MME
SCHEMBL2104700 0.84 CENPE (0.45) CENPEKIFC1PTGDR2
SCHEMBL4525707 0.84 CENPE (0.45) CENPEKIFC1PTGDR2
SCHEMBL3462683 0.83 KIFC1 (0.40) CENPEHPSEKIFC1APLNR

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