SCHEMBL8738562

SCHEMBL8738562

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

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 12/20 0.80
L3MBTL1 Q9Y468 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ATM Q13315 1/20 0.54
GLA P06280 1/20 0.54
POLB P06746 1/20 0.52
CYP2C9 P11712 1/20 0.51

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
SCHEMBL8738134 0.89 EZH2 (0.80) EZH2L3MBTL1MEN1KMT2AATM
SCHEMBL8738591 0.89 EZH2 (1.00) EZH2L3MBTL1MEN1KMT2AGLA
SCHEMBL8738240 0.88 EZH2 (0.81) EZH2L3MBTL1MEN1KMT2AATM
SCHEMBL6120964 0.88 EZH2 (1.00) EZH2L3MBTL1MEN1KMT2AATM
SCHEMBL8739225 0.88 EZH2 (0.78) EZH2L3MBTL1MEN1KMT2AATM
SCHEMBL8738589 0.86 EZH2 (0.75) EZH2L3MBTL1MEN1KMT2AATM
SCHEMBL6121204 0.85 EZH2 (0.74) EZH2L3MBTL1MEN1KMT2AATM
SCHEMBL8738152 0.85 EZH2 (0.74) EZH2
SCHEMBL8738546 0.85 EZH2 (0.80) EZH2L3MBTL1MEN1KMT2AATM
SCHEMBL8739015 0.84 EZH2 (0.77) EZH2L3MBTL1ATM

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