SCHEMBL8738672

SCHEMBL8738672

CC1(C)CC(NC(=O)c2ccc(Oc3nccc4ccccc34)c(Cl)c2)CC(C)(C)N1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 16/20 0.62
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55

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
SCHEMBL8739400 0.82 EZH2 (0.66) EZH2KMT2AMEN1
SCHEMBL6119756 0.81 EZH2 (0.77) EZH2KMT2AMEN1
SCHEMBL8739192 0.81 EZH2 (0.64) EZH2KMT2AMEN1
SCHEMBL8739712 0.81 EZH2 (0.81) EZH2KMT2AMEN1
SCHEMBL8739641 0.80 EZH2 (0.65) EZH2KMT2AMEN1
SCHEMBL8738112 0.80 EZH2 (0.79) EZH2KMT2AMEN1
SCHEMBL8739270 0.79 EZH2 (0.67) EZH2KMT2AMEN1
SCHEMBL8739074 0.79 EZH2 (0.66) EZH2KMT2AMEN1
SCHEMBL8738618 0.79 EZH2 (0.74) EZH2KMT2AMEN1
SCHEMBL8738162 0.79 EZH2 (0.65) EZH2KMT2AMEN1

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