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SCHEMBL8739018

SCHEMBL8739018

CC1(C)CC(NC(=O)c2ccc(COc3cccc(-c4cccnc4)c3)cc2)CC(C)(C)N1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 10/20 0.68
▸ SMPD1 P17405 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ SLC6A5 Q9Y345 1/20 0.45
▸ ATM Q13315 1/20 0.44
▸ GLA P06280 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
SCHEMBL8738204 0.92 EZH2 (0.69) EZH2SMPD1L3MBTL1MEN1KMT2A
SCHEMBL8739012 0.90 EZH2 (0.67) EZH2L3MBTL1MEN1KMT2AATM
SCHEMBL6121081 0.90 EZH2 (0.67) EZH2L3MBTL1MEN1KMT2AATM
SCHEMBL8738307 0.90 EZH2 (0.67) EZH2SMPD1L3MBTL1MEN1KMT2A
SCHEMBL8739245 0.90 EZH2 (0.77) EZH2L3MBTL1MEN1KMT2ARECQL
SCHEMBL8738268 0.90 EZH2 (0.66) EZH2SMPD1L3MBTL1MEN1KMT2A
SCHEMBL8738629 0.88 EZH2 (0.74) EZH2L3MBTL1MEN1KMT2AATM
SCHEMBL8738126 0.88 EZH2 (0.66) EZH2SMPD1L3MBTL1MEN1KMT2A
SCHEMBL8738621 0.88 EZH2 (0.66) EZH2SMPD1L3MBTL1MEN1KMT2A
SCHEMBL8738576 0.88 EZH2 (0.68) EZH2L3MBTL1MEN1KMT2AATM

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