SCHEMBL8739015

SCHEMBL8739015

CC1(C)CC(NC(=O)c2ccc(Oc3cccc(OCc4ccccc4)c3)cc2)CC(C)(C)N1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 12/20 0.77
SLC2A1 P11166 1/20 0.53
SPHK2 Q9NRA0 2/20 0.51
SPHK1 Q9NYA1 1/20 0.51
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL8738695 0.90 EZH2 (0.91) EZH2SLC2A1
SCHEMBL8738997 0.88 EZH2 (1.00) EZH2SLC2A1
SCHEMBL6120964 0.86 EZH2 (1.00) EZH2ATML3MBTL1
SCHEMBL8739042 0.86 EZH2 (1.00) EZH2SLC2A1
SCHEMBL8738589 0.86 EZH2 (0.75) EZH2ATML3MBTL1
SCHEMBL6121036 0.85 EZH2 (0.78) EZH2ATML3MBTL1
SCHEMBL8739377 0.85 EZH2 (0.78) EZH2SLC2A1ATML3MBTL1
SCHEMBL8738562 0.84 EZH2 (0.80) EZH2ATML3MBTL1
SCHEMBL8738134 0.84 EZH2 (0.80) EZH2ATML3MBTL1
SCHEMBL8739720 0.84 EZH2 (0.82) EZH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012068589-A2 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2012-05-24 WO disclosed