SCHEMBL8738997

SCHEMBL8738997

CC1(C)CC(NC(=O)c2ccc(COc3ccccc3)cc2)CC(C)(C)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 12/20 1.00
SLC2A1 P11166 1/20 0.58
MAPT P10636 2/20 0.55
ALDH1A1 P00352 1/20 0.55
SLC6A5 Q9Y345 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
POLB P06746 1/20 0.54
RECQL P46063 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL8738695 0.95 EZH2 (0.91) EZH2SLC2A1
SCHEMBL8738237 0.90 EZH2 (0.81) EZH2SLC2A1MAPTALDH1A1MEN1
SCHEMBL8738962 0.90 EZH2 (0.81) EZH2SLC2A1MAPTALDH1A1MEN1
SCHEMBL8738221 0.89 EZH2 (0.80) EZH2SLC2A1MAPTMEN1KMT2A
SCHEMBL6120934 0.89 EZH2 (0.80) EZH2SLC2A1MAPTMEN1KMT2A
SCHEMBL8739028 0.89 EZH2 (0.80) EZH2SLC2A1MAPTSLC6A5MEN1
SCHEMBL8738305 0.88 EZH2 (0.79) EZH2MEN1KMT2APOLB
SCHEMBL6121036 0.88 EZH2 (0.78) EZH2MEN1KMT2APOLB
SCHEMBL8739377 0.88 EZH2 (0.78) EZH2SLC2A1MEN1KMT2A
SCHEMBL8739015 0.88 EZH2 (0.77) EZH2SLC2A1

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