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SCHEMBL8738158

SCHEMBL8738158

CC1(C)CC(NC(=O)c2ccc(COc3cccc(N4CCOCC4)c3)cc2)CC(C)(C)N1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 9/20 0.68
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ MAPK14 Q16539 2/20 0.49
▸ MRGPRX4 Q96LA9 1/20 0.47
▸ SLC6A5 Q9Y345 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CYP2C9 P11712 1/20 0.44

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
SCHEMBL8738978 0.90 EZH2 (0.69) EZH2MEN1KMT2ASLC6A5L3MBTL1
SCHEMBL8738981 0.87 EZH2 (0.65) EZH2MEN1KMT2ASLC6A5L3MBTL1
SCHEMBL6121036 0.83 EZH2 (0.78) EZH2MEN1KMT2AL3MBTL1
SCHEMBL6120173 0.82 EZH2 (0.77) EZH2MEN1KMT2AMRGPRX4L3MBTL1
SCHEMBL8738147 0.82 EZH2 (0.77) EZH2MEN1KMT2AMRGPRX4L3MBTL1
SCHEMBL8738997 0.81 EZH2 (1.00) EZH2MEN1KMT2ASLC6A5
SCHEMBL8738593 0.81 EZH2 (0.59) EZH2MEN1KMT2AL3MBTL1
SCHEMBL8738629 0.81 EZH2 (0.74) EZH2MEN1KMT2AL3MBTL1
SCHEMBL8739021 0.80 EZH2 (0.55) EZH2MAPK14SLC6A5
SCHEMBL8738206 0.80 EZH2 (0.73) EZH2MEN1KMT2AL3MBTL1

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