SCHEMBL8739397

SCHEMBL8739397

CC1(C)CC(NC(=O)c2ccc(Oc3cccc4cnccc34)c(Br)c2)CC(C)(C)N1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 18/20 0.63
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL8739641 0.90 EZH2 (0.65) EZH2MEN1KMT2AL3MBTL1
SCHEMBL8739252 0.86 EZH2 (0.64) EZH2MEN1KMT2AL3MBTL1
SCHEMBL8739638 0.82 EZH2 (0.64) EZH2MEN1KMT2AL3MBTL1
SCHEMBL8738927 0.80 EZH2 (0.61) EZH2MEN1KMT2A
SCHEMBL8739648 0.80 EZH2 (0.70) EZH2
SCHEMBL8738274 0.78 EZH2 (0.72) EZH2
SCHEMBL8738610 0.78 EZH2 (0.72) EZH2
SCHEMBL8739013 0.76 EZH2 (0.66) EZH2L3MBTL1
SCHEMBL8738239 0.76 EZH2 (0.74) EZH2MEN1KMT2A
SCHEMBL8739666 0.74 EZH2 (0.83) EZH2

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