SCHEMBL8738574

SCHEMBL8738574

CC1(C)CC(NC(=O)c2ccc(N3C(=O)COc4ccccc43)c(Cl)c2)CC(C)(C)N1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP2C9 P11712 1/20 0.55
EZH2 Q15910 9/20 0.49
GLA P06280 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MITF O75030 1/20 0.45
RAD52 P43351 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 1/20 0.43

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
SCHEMBL8738166 0.84 MEN1 (0.60) MEN1KMT2ACYP2C9EZH2GLA
SCHEMBL8739451 0.75 MEN1 (0.55) MEN1KMT2ACYP2C9EZH2GLA
SCHEMBL8738999 0.74 KMT2A (0.59) MEN1KMT2ACYP2C9EZH2GLA
SCHEMBL8739672 0.74 MEN1 (0.61) MEN1KMT2ACYP2C9EZH2GLA
SCHEMBL8738120 0.73 MEN1 (0.60) MEN1KMT2ACYP2C9EZH2GLA
SCHEMBL8738652 0.73 MEN1 (0.57) MEN1KMT2ACYP2C9EZH2GLA
SCHEMBL8739686 0.73 KMT2A (0.57) MEN1KMT2ACYP2C9EZH2GLA
SCHEMBL6120920 0.73 MEN1 (0.77) MEN1KMT2ACYP2C9EZH2GLA
SCHEMBL8739211 0.73 MEN1 (0.57) MEN1KMT2ACYP2C9EZH2GLA
SCHEMBL8739727 0.72 EZH2 (0.56) MEN1KMT2ACYP2C9EZH2GLA

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