SCHEMBL8738664

SCHEMBL8738664

CC1(C)CC(NC(=O)c2ccc(Oc3cnccn3)cc2)CC(C)(C)N1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 13/20 0.65
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GLA P06280 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL8738303 0.86 EZH2 (0.73) EZH2ATML3MBTL1GLAKMT2A
SCHEMBL8739359 0.84 EZH2 (0.77) EZH2ATML3MBTL1GLAKMT2A
SCHEMBL8738277 0.83 EZH2 (0.77) EZH2ATML3MBTL1GLAKMT2A
SCHEMBL8738696 0.82 EZH2 (0.74) EZH2ATML3MBTL1GLAKMT2A
SCHEMBL6120386 0.82 EZH2 (0.64) EZH2ATML3MBTL1GLAKMT2A
SCHEMBL8738195 0.80 EZH2 (0.71) EZH2ATML3MBTL1GLAKMT2A
SCHEMBL6120293 0.79 EZH2 (0.73) EZH2ATML3MBTL1GLAKMT2A
SCHEMBL6120964 0.79 EZH2 (1.00) EZH2ATML3MBTL1GLAKMT2A
SCHEMBL8738111 0.79 EZH2 (0.81) EZH2ATML3MBTL1GLAKMT2A
SCHEMBL8738202 0.79 EZH2 (0.81) EZH2ATML3MBTL1GLAKMT2A

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