SCHEMBL8739262

SCHEMBL8739262

Cc1ccc(OCc2ccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2)nc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 9/20 0.66
POLB P06746 1/20 0.51
GLA P06280 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.47
HTT P42858 1/20 0.45

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
SCHEMBL8738237 0.85 EZH2 (0.81) EZH2POLBGLAMEN1KMT2A
SCHEMBL8738175 0.84 EZH2 (0.73) EZH2GLAMEN1KMT2A
SCHEMBL6120693 0.83 EZH2 (0.69) EZH2POLBGLAMEN1KMT2A
SCHEMBL8738149 0.82 EZH2 (0.76) EZH2POLBGLAMEN1KMT2A
SCHEMBL8738182 0.81 HTT (0.67) EZH2POLBGLAMEN1KMT2A
SCHEMBL8738184 0.80 EZH2 (0.72) EZH2POLBGLAMEN1KMT2A
SCHEMBL8739028 0.80 EZH2 (0.80) EZH2POLBGLAMEN1KMT2A
SCHEMBL8738997 0.79 EZH2 (1.00) EZH2POLBMEN1KMT2A
SCHEMBL6121036 0.79 EZH2 (0.78) EZH2POLBGLAMEN1KMT2A
SCHEMBL14679120 0.79 POLB (0.73) 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