SCHEMBL8739260

SCHEMBL8739260

CC1(C)CC(NC(=O)c2ccc(OC3CCCNC3)c(Cl)c2)CC(C)(C)N1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
EZH2 Q15910 8/20 0.55
GLA P06280 1/20 0.49
CYP2C9 P11712 1/20 0.47
UTS2R Q9UKP6 2/20 0.46
PKM P14618 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
SCHEMBL8739662 0.94 MEN1 (0.60) MEN1KMT2AEZH2GLACYP2C9
SCHEMBL8739702 0.90 MEN1 (0.65) MEN1KMT2AEZH2GLACYP2C9
SCHEMBL8739673 0.88 MEN1 (0.62) MEN1KMT2AEZH2GLACYP2C9
SCHEMBL8738911 0.80 MEN1 (0.59) MEN1KMT2AEZH2GLACYP2C9
SCHEMBL8739365 0.78 MEN1 (0.57) MEN1KMT2AEZH2GLACYP2C9
SCHEMBL6119756 0.76 EZH2 (0.77) MEN1KMT2AEZH2
SCHEMBL8738124 0.76 EZH2 (0.56) MEN1KMT2AEZH2GLACYP2C9
SCHEMBL8739274 0.75 EZH2 (0.67) MEN1KMT2AEZH2
SCHEMBL6120920 0.74 MEN1 (0.77) MEN1KMT2AEZH2GLACYP2C9
SCHEMBL8738112 0.74 EZH2 (0.79) MEN1KMT2AEZH2GLA

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