SCHEMBL8739696

SCHEMBL8739696

CC1(C)CC(NC(=O)c2ccc(Oc3ccncc3C#N)c(Cl)c2)CC(C)(C)N1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 19/20 0.77
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL6121538 0.87 EZH2 (1.00) EZH2
SCHEMBL8738953 0.83 EZH2 (0.83) EZH2
SCHEMBL8738569 0.83 EZH2 (0.82) EZH2MEN1KMT2A
SCHEMBL8738282 0.83 EZH2 (0.78) EZH2MEN1KMT2A
SCHEMBL8738899 0.82 EZH2 (0.80) EZH2MEN1KMT2A
SCHEMBL8739637 0.82 EZH2 (0.80) EZH2MEN1KMT2A
SCHEMBL8738213 0.82 EZH2 (0.85) EZH2
SCHEMBL8739683 0.81 EZH2 (1.00) EZH2
SCHEMBL8739641 0.81 EZH2 (0.65) EZH2MEN1KMT2A
SCHEMBL8738619 0.81 EZH2 (0.65) 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