SCHEMBL8739727

SCHEMBL8739727

CC1(C)CC(NC(=O)c2ccc(N3CCOc4ccccc43)cc2)CC(C)(C)N1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 12/20 0.56
CYP2C9 P11712 1/20 0.54
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GLA P06280 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL8738166 0.86 MEN1 (0.60) EZH2CYP2C9MEN1KMT2AGLA
SCHEMBL169747 0.76 EZH2 (0.80) EZH2CYP2C9MEN1KMT2AGLA
SCHEMBL2908330 0.74 EZH2 (0.89) EZH2MEN1KMT2AGLAL3MBTL1
SCHEMBL8738588 0.72 EZH2 (1.00) EZH2CYP2C9MEN1KMT2AGLA
SCHEMBL6119822 0.72 EZH2 (0.80) EZH2CYP2C9MEN1KMT2AGLA
SCHEMBL27636094 0.72 EZH2 (0.70) EZH2CYP2C9MEN1KMT2AGLA
SCHEMBL8738574 0.72 MEN1 (0.56) EZH2CYP2C9MEN1KMT2AGLA
SCHEMBL8738186 0.71 EZH2 (0.67) EZH2CYP2C9
SCHEMBL14679120 0.71 POLB (0.73) EZH2CYP2C9MEN1KMT2AGLA
SCHEMBL6121185 0.71 EZH2 (0.72) EZH2CYP2C9MEN1KMT2AGLA

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