SCHEMBL8738149

SCHEMBL8738149

Cc1cc(C)cc(OCc2ccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2)c1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 10/20 0.76
POLB P06746 2/20 0.64
GLA P06280 1/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ATM Q13315 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HSD17B10 Q99714 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPT P10636 1/20 0.49
RECQL P46063 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
SCHEMBL6121036 0.90 EZH2 (0.78) EZH2POLBGLAMEN1KMT2A
SCHEMBL8738237 0.90 EZH2 (0.81) EZH2POLBGLAMEN1KMT2A
SCHEMBL8738583 0.88 EZH2 (0.62) EZH2POLBGLAMEN1KMT2A
SCHEMBL8738308 0.87 EZH2 (0.73) EZH2POLBGLAMEN1KMT2A
SCHEMBL8738997 0.86 EZH2 (1.00) EZH2POLBMEN1KMT2AMAPT
SCHEMBL8738962 0.85 EZH2 (0.81) EZH2POLBMEN1KMT2AATM
SCHEMBL8739028 0.84 EZH2 (0.80) EZH2POLBGLAMEN1KMT2A
SCHEMBL8738221 0.84 EZH2 (0.80) EZH2POLBMEN1KMT2AATM
SCHEMBL8738695 0.84 EZH2 (0.91) EZH2
SCHEMBL8738182 0.84 HTT (0.67) 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