SCHEMBL8738583

SCHEMBL8738583

Cc1cc(C)cc(OCc2cccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 6/20 0.62
POLB P06746 1/20 0.60
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
GLA P06280 1/20 0.53
ATM Q13315 1/20 0.50
RAD52 P43351 1/20 0.49
F2 P00734 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
ST14 Q9Y5Y6 1/20 0.48
CYP2C9 P11712 1/20 0.47

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
SCHEMBL8739377 0.89 EZH2 (0.78) EZH2MEN1KMT2AL3MBTL1GLA
SCHEMBL8738149 0.88 EZH2 (0.76) EZH2POLBMEN1KMT2AL3MBTL1
SCHEMBL8738140 0.86 EZH2 (0.63) EZH2MEN1KMT2AL3MBTL1GLA
SCHEMBL8738289 0.84 EZH2 (0.69) EZH2POLBMEN1KMT2AL3MBTL1
SCHEMBL6121036 0.83 EZH2 (0.78) EZH2POLBMEN1KMT2AL3MBTL1
SCHEMBL8738955 0.81 MEN1 (0.69) EZH2POLBMEN1KMT2AL3MBTL1
SCHEMBL8739031 0.80 EZH2 (0.70) EZH2MEN1KMT2AL3MBTL1
SCHEMBL6236678 0.80 L3MBTL1 (0.67) EZH2POLBMEN1KMT2AL3MBTL1
SCHEMBL8738695 0.79 EZH2 (0.91) EZH2
SCHEMBL310763 0.79 KMT2A (0.82) EZH2POLBMEN1KMT2AL3MBTL1

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