SCHEMBL8738688

SCHEMBL8738688

Cc1cccc(OCc2ccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2)c1C

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 14/20 0.69
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
RAB9A P51151 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
GLA P06280 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 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
SCHEMBL8738171 0.92 EZH2 (0.74) EZH2GLAMEN1KMT2A
SCHEMBL8738184 0.88 EZH2 (0.72) EZH2L3MBTL1GLAMEN1KMT2A
SCHEMBL8739073 0.85 EZH2 (0.65) EZH2
SCHEMBL8738114 0.84 EZH2 (0.70) EZH2LMNAMAPTMEN1KMT2A
SCHEMBL8738586 0.84 EZH2 (0.73) EZH2MAPT
SCHEMBL8738182 0.83 HTT (0.67) EZH2GLAMEN1KMT2A
SCHEMBL8738276 0.82 EZH2 (0.64) EZH2LMNAMAPTRAB9AL3MBTL1
SCHEMBL8739739 0.82 EZH2 (0.73) EZH2
SCHEMBL8738568 0.82 EZH2 (0.66) EZH2MEN1KMT2A
SCHEMBL8738997 0.81 EZH2 (1.00) EZH2MAPTRAB9AMEN1KMT2A

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