SCHEMBL4721237

SCHEMBL4721237

CC(C)Oc1ccc(C(=O)N(Cc2ccc(OCc3ccccc3)cc2)NC(=O)NCC(N)=O)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 2/20 0.44
F7 P08709 1/20 0.40
CENPE Q02224 1/20 0.40
PARP10 Q53GL7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KLK1 P06870 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
ALOX5 P09917 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL4718072 0.89 CENPE (0.46) CENPETDP1KLK1KMT2ATSHR
SCHEMBL2103976 0.87 SPHK2 (0.46) SPHK2CENPEPARP10KMT2AKDM4E
SCHEMBL4718727 0.82 CENPE (0.42) SPHK2CENPETDP1KLK1KMT2A
SCHEMBL4720150 0.82 PTGES (0.46) CENPEKMT2ATSHRALOX5ALDH1A1
SCHEMBL4719465 0.80 GUSB (0.48) CENPEKMT2ATSHRALOX5PTGS1
SCHEMBL2103273 0.79 CENPE (0.50) CENPEKMT2AALOX5PTGS1PTGS2
SCHEMBL4720908 0.79 MEN1 (0.47) CENPEKMT2AKDM4ECYP1A2CYP2C9
SCHEMBL4521076 0.79 CENPE (0.47) CENPEKMT2AKDM4ECYP1A2CYP2C9
SCHEMBL2106356 0.78 SPHK2 (0.44) SPHK2CENPETDP1KMT2AKDM4E
SCHEMBL4721152 0.78 CENPE (0.52) CENPEKMT2ACYP1A2CYP2C9CYP2C19

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 4 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
EP-1951719-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-08-06 EP disclosed
WO-2007056469-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed