SCHEMBL8739251

SCHEMBL8739251

CC1(C)CC(NC(=O)c2ccc(Nc3ccccc3)cc2)CC(C)(C)N1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 12/20 0.76
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.63
MAPT P10636 1/20 0.63
PKM P14618 1/20 0.63
ALOX15 P16050 1/20 0.63
ALOX12 P18054 1/20 0.63
RAD52 P43351 1/20 0.63
GFER P55789 1/20 0.63
GLA P06280 1/20 0.59
POLB P06746 1/20 0.57
CYP2C9 P11712 1/20 0.55

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
SCHEMBL8738156 0.89 EZH2 (0.76) EZH2MEN1KMT2AL3MBTL1GLA
SCHEMBL2908330 0.89 EZH2 (0.89) EZH2MEN1KMT2AL3MBTL1GLA
SCHEMBL169747 0.87 EZH2 (0.80) EZH2MEN1KMT2AL3MBTL1PKM
SCHEMBL6119822 0.86 EZH2 (0.80) EZH2MEN1KMT2AL3MBTL1GLA
SCHEMBL8738588 0.86 EZH2 (1.00) EZH2MEN1KMT2AL3MBTL1GLA
SCHEMBL6120685 0.85 EZH2 (0.62) EZH2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL6120058 0.84 EZH2 (0.67) EZH2MEN1KMT2AL3MBTL1GLA
SCHEMBL6120964 0.83 EZH2 (1.00) EZH2MEN1KMT2AL3MBTL1GLA
SCHEMBL8738670 0.83 EZH2 (0.74) EZH2MEN1KMT2AL3MBTL1GLA
SCHEMBL6120593 0.83 EZH2 (0.74) EZH2MEN1KMT2AL3MBTL1GLA

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