SCHEMBL8739672

SCHEMBL8739672

CC1(C)CC(NC(=O)c2ccc(-n3cccn3)c(Cl)c2)CC(C)(C)N1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
GLA P06280 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
EZH2 Q15910 10/20 0.51
CYP2C9 P11712 1/20 0.49
POLB P06746 1/20 0.47
MITF O75030 1/20 0.46
RAD52 P43351 1/20 0.46

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
SCHEMBL8738999 0.80 KMT2A (0.59) MEN1KMT2AGLAL3MBTL1EZH2
SCHEMBL8739686 0.79 KMT2A (0.57) MEN1KMT2AGLAL3MBTL1EZH2
SCHEMBL8738652 0.79 MEN1 (0.57) MEN1KMT2AGLAL3MBTL1EZH2
SCHEMBL8739391 0.78 KMT2A (0.56) MEN1KMT2AGLAL3MBTL1EZH2
SCHEMBL8738151 0.77 MEN1 (0.57) MEN1KMT2AGLAL3MBTL1EZH2
SCHEMBL6120920 0.77 MEN1 (0.77) MEN1KMT2AGLAL3MBTL1EZH2
SCHEMBL8739223 0.76 MEN1 (0.56) MEN1KMT2AGLAL3MBTL1EZH2
SCHEMBL5068100 0.75 LMNA (0.52) MEN1KMT2AL3MBTL1CYP2C9
SCHEMBL8738166 0.75 MEN1 (0.60) MEN1KMT2AGLAL3MBTL1EZH2
SCHEMBL8738120 0.75 MEN1 (0.60) MEN1KMT2AGLAL3MBTL1EZH2

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