SCHEMBL8738904

SCHEMBL8738904

CNCc1cccc(Oc2ccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)cn2)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 12/20 0.55
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
FAAH O00519 1/20 0.45
ATM Q13315 1/20 0.44
GLA P06280 1/20 0.44
HPGDS O60760 1/20 0.44

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
SCHEMBL8738269 0.87 EZH2 (0.72) EZH2L3MBTL1MEN1KMT2AATM
SCHEMBL6120293 0.84 EZH2 (0.73) EZH2L3MBTL1MEN1KMT2AATM
SCHEMBL8739265 0.82 EZH2 (0.64) EZH2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL6120543 0.79 EZH2 (0.65) EZH2L3MBTL1HPGDS
SCHEMBL8738589 0.77 EZH2 (0.75) EZH2L3MBTL1MEN1KMT2AATM
SCHEMBL6120386 0.75 EZH2 (0.64) EZH2L3MBTL1MEN1KMT2AATM
SCHEMBL8738278 0.74 EZH2 (0.71) EZH2L3MBTL1MEN1KMT2AATM
SCHEMBL8739015 0.74 EZH2 (0.77) EZH2L3MBTL1ATM
SCHEMBL8739221 0.73 EZH2 (0.59) EZH2L3MBTL1MEN1KMT2A
SCHEMBL8739465 0.73 EZH2 (0.59) EZH2L3MBTL1MEN1KMT2A

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