SCHEMBL8738652

SCHEMBL8738652

CC1(C)CC(NC(=O)c2ccc(-n3cnc4ccccc43)c(Cl)c2)CC(C)(C)N1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
EZH2 Q15910 8/20 0.50
GLA P06280 1/20 0.48
TP53 P04637 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP2C9 P11712 1/20 0.46
MITF O75030 1/20 0.45
RAD52 P43351 1/20 0.45
POLB P06746 1/20 0.44
MAPT P10636 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
SCHEMBL8738999 0.83 KMT2A (0.59) MEN1KMT2AEZH2GLAL3MBTL1
SCHEMBL8739686 0.79 KMT2A (0.57) MEN1KMT2AEZH2GLAL3MBTL1
SCHEMBL8739391 0.79 KMT2A (0.56) MEN1KMT2AEZH2GLAL3MBTL1
SCHEMBL8739672 0.79 MEN1 (0.61) MEN1KMT2AEZH2GLAL3MBTL1
SCHEMBL8739201 0.78 HDAC1 (0.61) MEN1KMT2AEZH2HTT
SCHEMBL8738151 0.76 MEN1 (0.57) MEN1KMT2AEZH2GLAL3MBTL1
SCHEMBL8739223 0.75 MEN1 (0.56) MEN1KMT2AEZH2GLATP53
SCHEMBL8738166 0.74 MEN1 (0.60) MEN1KMT2AEZH2GLAL3MBTL1
SCHEMBL8738120 0.74 MEN1 (0.60) MEN1KMT2AEZH2GLAL3MBTL1
SCHEMBL6120920 0.73 MEN1 (0.77) MEN1KMT2AEZH2GLAL3MBTL1

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