SCHEMBL8738147

SCHEMBL8738147

CC1(C)CC(NC(=O)c2ccc(COc3cccc(F)c3)cc2)CC(C)(C)N1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 12/20 0.77
L3MBTL1 Q9Y468 2/20 0.65
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.49
GLA P06280 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.48

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
SCHEMBL8739031 0.90 EZH2 (0.70) EZH2L3MBTL1MEN1KMT2A
SCHEMBL6121036 0.89 EZH2 (0.78) EZH2L3MBTL1MEN1KMT2AATM
SCHEMBL6120173 0.88 EZH2 (0.77) EZH2L3MBTL1MEN1KMT2AATM
SCHEMBL8738997 0.87 EZH2 (1.00) EZH2MEN1KMT2A
SCHEMBL8738126 0.86 EZH2 (0.66) EZH2L3MBTL1MEN1KMT2AATM
SCHEMBL8738629 0.86 EZH2 (0.74) EZH2L3MBTL1MEN1KMT2AATM
SCHEMBL8738245 0.86 EZH2 (0.65) EZH2L3MBTL1MEN1KMT2AATM
SCHEMBL8738206 0.85 EZH2 (0.73) EZH2L3MBTL1MEN1KMT2AATM
SCHEMBL8738662 0.85 EZH2 (0.76) EZH2L3MBTL1MEN1KMT2AATM
SCHEMBL8739659 0.85 EZH2 (0.76) EZH2L3MBTL1MEN1KMT2AATM

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