SCHEMBL8738586

SCHEMBL8738586

CC1(C)CC(NC(=O)c2ccc(COc3ccccc3Br)cc2)CC(C)(C)N1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 15/20 0.73
RXFP1 Q9HBX9 1/20 0.52
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL8738171 0.88 EZH2 (0.74) EZH2
SCHEMBL8738114 0.85 EZH2 (0.70) EZH2GAAMAPTHPGD
SCHEMBL8739739 0.85 EZH2 (0.73) EZH2
SCHEMBL8738997 0.84 EZH2 (1.00) EZH2RXFP1MAPT
SCHEMBL8738688 0.84 EZH2 (0.69) EZH2MAPT
SCHEMBL8738600 0.84 EZH2 (0.78) EZH2
SCHEMBL8739042 0.83 EZH2 (1.00) EZH2GAA
SCHEMBL8738568 0.82 EZH2 (0.66) EZH2
SCHEMBL8738695 0.82 EZH2 (0.91) EZH2GAA
SCHEMBL8738305 0.82 EZH2 (0.79) EZH2GAA

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