SCHEMBL8738313

SCHEMBL8738313

CC1(C)CC(NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)CC(C)(C)N1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 13/20 0.79
L3MBTL1 Q9Y468 2/20 0.62
ATM Q13315 1/20 0.56
GLA P06280 1/20 0.56
POLB P06746 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CYP2C9 P11712 1/20 0.53

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
SCHEMBL6120964 0.88 EZH2 (1.00) EZH2L3MBTL1ATMGLAMEN1
SCHEMBL8738111 0.88 EZH2 (0.81) EZH2L3MBTL1ATMGLAPOLB
SCHEMBL8738202 0.88 EZH2 (0.81) EZH2L3MBTL1ATMGLAPOLB
SCHEMBL8738240 0.88 EZH2 (0.81) EZH2L3MBTL1ATMGLAPOLB
SCHEMBL8738108 0.87 EZH2 (0.79) EZH2L3MBTL1ATMGLAPOLB
SCHEMBL8738545 0.87 EZH2 (0.79) EZH2L3MBTL1ATMGLAPOLB
SCHEMBL8738197 0.87 EZH2 (0.78) EZH2L3MBTL1
SCHEMBL8739359 0.86 EZH2 (0.77) EZH2L3MBTL1ATMGLAPOLB
SCHEMBL8739064 0.85 EZH2 (0.76) EZH2L3MBTL1ATMGLAPOLB
SCHEMBL8738644 0.85 EZH2 (0.81) EZH2L3MBTL1ATMGLAPOLB

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