SCHEMBL8739686

SCHEMBL8739686

CC1(C)CC(NC(=O)c2ccc(-n3ncc4ccccc43)c(Cl)c2)CC(C)(C)N1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
EZH2 Q15910 9/20 0.50
GLA P06280 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
KHK P50053 2/20 0.47
CYP2C9 P11712 1/20 0.46
MITF O75030 1/20 0.45
RAD52 P43351 1/20 0.45

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
SCHEMBL8739223 0.85 MEN1 (0.56) KMT2AMEN1EZH2GLAL3MBTL1
SCHEMBL8738999 0.83 KMT2A (0.59) KMT2AMEN1EZH2GLAL3MBTL1
SCHEMBL8738652 0.79 MEN1 (0.57) KMT2AMEN1EZH2GLAL3MBTL1
SCHEMBL8739672 0.79 MEN1 (0.61) KMT2AMEN1EZH2GLAL3MBTL1
SCHEMBL8739391 0.75 KMT2A (0.56) KMT2AMEN1EZH2GLAL3MBTL1
SCHEMBL8738312 0.74 EZH2 (0.67) KMT2AMEN1EZH2GLAL3MBTL1
SCHEMBL8738151 0.74 MEN1 (0.57) KMT2AMEN1EZH2GLAL3MBTL1
SCHEMBL8738166 0.74 MEN1 (0.60) KMT2AMEN1EZH2GLAL3MBTL1
SCHEMBL8738120 0.74 MEN1 (0.60) KMT2AMEN1EZH2GLAL3MBTL1
SCHEMBL6120920 0.73 MEN1 (0.77) KMT2AMEN1EZH2GLAL3MBTL1

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