SCHEMBL8739462

SCHEMBL8739462

CC1(C)CC(NC(=O)c2ccc(Oc3cccc(CC#N)c3)c(Cl)c2)CC(C)(C)O1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 19/20 0.62
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL8738125 0.90 EZH2 (0.67) EZH2MEN1KMT2A
SCHEMBL8739367 0.80 EZH2 (0.71) EZH2MEN1KMT2A
SCHEMBL8738989 0.80 EZH2 (0.65) EZH2
SCHEMBL8738915 0.80 EZH2 (0.79) EZH2
SCHEMBL8739265 0.79 EZH2 (0.64) EZH2MEN1KMT2A
SCHEMBL8738942 0.78 EZH2 (0.71) EZH2MEN1KMT2A
SCHEMBL8739217 0.78 EZH2 (0.71) EZH2
SCHEMBL8739715 0.77 EZH2 (0.83) EZH2
SCHEMBL6120703 0.77 EZH2 (1.00) EZH2
SCHEMBL8738122 0.76 EZH2 (0.66) EZH2MEN1KMT2A

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