SCHEMBL4719465

SCHEMBL4719465

CC(C)Oc1ccc(C(=O)N(Cc2ccc(OCc3ccccc3)cc2)NCCC#N)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.48
CENPE Q02224 1/20 0.41
MAOB P27338 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
TSHR P16473 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4718727 0.91 CENPE (0.42) CENPEMAOBKMT2AALOX5PTGS1
SCHEMBL4718072 0.84 CENPE (0.46) CENPEMAOBKMT2AALOX5PTGS1
SCHEMBL2104779 0.83 GUSB (0.45) GUSBCENPEMAOBKMT2AL3MBTL1
SCHEMBL4721237 0.80 SPHK2 (0.44) CENPEKMT2AALOX5PTGS1PTGS2
SCHEMBL2103273 0.79 CENPE (0.50) CENPEMAOBKMT2AALOX5PTGS1
SCHEMBL4718071 0.77 CENPE (0.49) CENPEKMT2AALOX5PTGS1PTGS2
SCHEMBL4720150 0.76 PTGES (0.46) CENPEMAOBKMT2AALOX5TSHR
SCHEMBL2103976 0.75 SPHK2 (0.46) CENPEKMT2A
SCHEMBL2104742 0.75 CENPE (0.46) CENPEKMT2AALOX5PTGS1PTGS2
SCHEMBL2617475 0.75 HDAC3 (0.51) GUSBCENPEMAOBKMT2A

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