SCHEMBL8739042

SCHEMBL8739042

CC1(C)CC(NC(=O)c2ccc(Oc3ccccc3OCc3ccccc3)cc2)CC(C)(C)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 16/20 1.00
SLC2A1 P11166 1/20 0.53
GAA P10253 1/20 0.49

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
SCHEMBL8738979 0.92 EZH2 (0.85) EZH2
SCHEMBL8739720 0.90 EZH2 (0.82) EZH2
SCHEMBL8738645 0.90 EZH2 (0.81) EZH2
SCHEMBL8738695 0.89 EZH2 (0.91) EZH2SLC2A1GAA
SCHEMBL8739015 0.86 EZH2 (0.77) EZH2SLC2A1
SCHEMBL8738647 0.86 EZH2 (0.75) EZH2GAA
SCHEMBL8739474 0.85 EZH2 (0.75) EZH2
SCHEMBL8738997 0.85 EZH2 (1.00) EZH2SLC2A1
SCHEMBL8738144 0.85 EZH2 (1.00) EZH2
SCHEMBL8738171 0.84 EZH2 (0.74) 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