SCHEMBL8739031

SCHEMBL8739031

CC1(C)CC(NC(=O)c2ccc(OCc3cccc(F)c3)cc2)CC(C)(C)N1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 9/20 0.70
L3MBTL1 Q9Y468 1/20 0.65
MAOB P27338 3/20 0.57
GRM5 P41594 1/20 0.55
NR4A2 P43354 1/20 0.55
PARP10 Q53GL7 1/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAOA P21397 1/20 0.51
SLC2A1 P11166 1/20 0.50

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
SCHEMBL8738147 0.90 EZH2 (0.77) EZH2L3MBTL1MEN1KMT2A
SCHEMBL8738695 0.87 EZH2 (0.91) EZH2SLC2A1
SCHEMBL8738289 0.87 EZH2 (0.69) EZH2L3MBTL1MEN1KMT2A
SCHEMBL8739377 0.84 EZH2 (0.78) EZH2L3MBTL1MEN1KMT2ASLC2A1
SCHEMBL8738997 0.83 EZH2 (1.00) EZH2MEN1KMT2ASLC2A1
SCHEMBL8739015 0.82 EZH2 (0.77) EZH2L3MBTL1SLC2A1
SCHEMBL8738962 0.82 EZH2 (0.81) EZH2L3MBTL1MEN1KMT2ASLC2A1
SCHEMBL8738237 0.82 EZH2 (0.81) EZH2MAOBMEN1KMT2ASLC2A1
SCHEMBL8738198 0.81 EZH2 (0.70) EZH2L3MBTL1MAOBPARP10
SCHEMBL8738221 0.81 EZH2 (0.80) EZH2L3MBTL1MEN1KMT2ASLC2A1

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