SCHEMBL8739451

SCHEMBL8739451

CC1(C)CC(NC(=O)c2ccc(N3CC(c4ccccc4)CC3=O)c(Cl)c2)CC(C)(C)N1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
EZH2 Q15910 11/20 0.51
GLA P06280 1/20 0.47
MITF O75030 1/20 0.46
RAD52 P43351 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2C9 P11712 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
SCHEMBL8738120 0.83 MEN1 (0.60) MEN1KMT2AEZH2GLAMITF
SCHEMBL8739211 0.79 MEN1 (0.57) MEN1KMT2AEZH2GLAMITF
SCHEMBL8738166 0.78 MEN1 (0.60) MEN1KMT2AEZH2GLAMITF
SCHEMBL8738574 0.75 MEN1 (0.56) MEN1KMT2AEZH2GLAMITF
SCHEMBL8738999 0.74 KMT2A (0.59) MEN1KMT2AEZH2GLAMITF
SCHEMBL6119756 0.74 EZH2 (0.77) MEN1KMT2AEZH2
SCHEMBL8739672 0.73 MEN1 (0.61) MEN1KMT2AEZH2GLAMITF
SCHEMBL8738598 0.73 MEN1 (0.55) MEN1KMT2AEZH2GLAMITF
SCHEMBL8738652 0.72 MEN1 (0.57) MEN1KMT2AEZH2GLAMITF
SCHEMBL8739686 0.72 KMT2A (0.57) MEN1KMT2AEZH2GLAMITF

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