SCHEMBL8739254

SCHEMBL8739254

CC1(C)CC(NC(=O)c2ccc(Oc3ccccc3)cc2Cl)CC(C)(C)N1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 13/20 0.72
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
TSHR P16473 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
SCHEMBL6120862 0.88 EZH2 (0.74) EZH2KMT2AMEN1
SCHEMBL8738699 0.88 EZH2 (0.71) EZH2KMT2ATSHR
SCHEMBL8738976 0.87 EZH2 (0.72) EZH2KMT2ATSHR
SCHEMBL8739235 0.86 EZH2 (0.68) EZH2KMT2AMEN1
SCHEMBL6120964 0.82 EZH2 (1.00) EZH2KMT2AMEN1TSHR
SCHEMBL8738546 0.81 EZH2 (0.80) EZH2KMT2AMEN1
SCHEMBL17067306 0.81 KMT2A (0.64) EZH2KMT2AMEN1
SCHEMBL8739010 0.80 EZH2 (0.70) EZH2KMT2ATSHR
SCHEMBL6119756 0.79 EZH2 (0.77) EZH2KMT2AMEN1
SCHEMBL8738253 0.76 EZH2 (1.00) EZH2KMT2AMEN1

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