SCHEMBL8739280

SCHEMBL8739280

CC1(C)CC(NC(=O)c2ccc(Oc3ccccc3C#N)c3ccccc23)CC(C)(C)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 17/20 1.00
KMT2A Q03164 1/20 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
SCHEMBL8738935 0.84 EZH2 (1.00) EZH2
SCHEMBL8738559 0.81 EZH2 (1.00) EZH2
SCHEMBL6121538 0.80 EZH2 (1.00) EZH2
SCHEMBL25671331 0.80 EZH2 (0.84) EZH2
SCHEMBL8739407 0.78 EZH2 (1.00) EZH2KMT2A
SCHEMBL8738154 0.77 EZH2 (0.83) EZH2
SCHEMBL8739739 0.74 EZH2 (0.73) EZH2
SCHEMBL28011390 0.73 EZH2 (0.56) EZH2
SCHEMBL8504043 0.72 KMT2A (0.76) EZH2KMT2A
SCHEMBL8739010 0.72 EZH2 (0.70) EZH2KMT2A

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