SCHEMBL8738669

SCHEMBL8738669

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

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 9/20 0.68
GLA P06280 1/20 0.63
POLB P06746 1/20 0.61
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
CYP2C9 P11712 1/20 0.59
L3MBTL1 Q9Y468 3/20 0.58
ATM Q13315 1/20 0.56

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
SCHEMBL169747 0.91 EZH2 (0.80) EZH2GLAPOLBKMT2AMEN1
SCHEMBL14679120 0.85 POLB (0.73) EZH2GLAPOLBKMT2AMEN1
SCHEMBL6121185 0.85 EZH2 (0.72) EZH2GLAPOLBKMT2AMEN1
SCHEMBL24904611 0.84 EZH2 (0.49) EZH2GLAPOLBKMT2AMEN1
SCHEMBL9002597 0.84 EZH2 (0.70) EZH2GLAPOLBKMT2AMEN1
SCHEMBL13683724 0.84 EZH2 (0.70) EZH2GLAPOLBKMT2AMEN1
SCHEMBL6120701 0.84 EZH2 (0.70) EZH2GLAPOLBKMT2AMEN1
SCHEMBL27636094 0.84 EZH2 (0.70) EZH2GLAPOLBKMT2AMEN1
SCHEMBL17067286 0.84 MEN1 (0.71) EZH2GLAPOLBKMT2AMEN1
SCHEMBL2908330 0.83 EZH2 (0.89) EZH2GLAPOLBKMT2AMEN1

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