SCHEMBL8739708

SCHEMBL8739708

CC(c1ccccc1)c1ccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 10/20 0.72
POLB P06746 2/20 0.62
HTT P42858 1/20 0.60
GLA P06280 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TSHR P16473 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
SCHEMBL8738590 0.90 EZH2 (0.72) EZH2POLBHTTGLAMEN1
SCHEMBL8738667 0.87 EZH2 (0.67) EZH2POLBGLAMEN1KMT2A
SCHEMBL2908330 0.86 EZH2 (0.89) EZH2POLBGLAMEN1KMT2A
SCHEMBL169747 0.85 EZH2 (0.80) EZH2POLBGLAMEN1KMT2A
SCHEMBL6120930 0.84 EZH2 (0.71) EZH2POLBHTTGLAMEN1
SCHEMBL6120669 0.84 EZH2 (0.64) EZH2POLBGLAMEN1KMT2A
SCHEMBL8738588 0.84 EZH2 (1.00) EZH2POLBGLAMEN1KMT2A
SCHEMBL6119822 0.84 EZH2 (0.80) EZH2POLBGLAMEN1KMT2A
SCHEMBL8738156 0.82 EZH2 (0.76) EZH2POLBGLAMEN1KMT2A
SCHEMBL8739251 0.82 EZH2 (0.76) EZH2POLBGLAMEN1KMT2A

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