SCHEMBL8738151

SCHEMBL8738151

CC1(C)CC(NC(=O)c2ccc(-n3ccc4cc(O)ccc43)c(Cl)c2)CC(C)(C)N1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
GLA P06280 1/20 0.48
CYP2C9 P11712 1/20 0.46
EZH2 Q15910 7/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
POLB P06746 1/20 0.44
MITF O75030 1/20 0.42
RAD52 P43351 1/20 0.42
ATM Q13315 1/20 0.41

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
SCHEMBL8738999 0.89 KMT2A (0.59) MEN1KMT2AGLACYP2C9EZH2
SCHEMBL8739391 0.82 KMT2A (0.56) MEN1KMT2AGLACYP2C9EZH2
SCHEMBL8739672 0.77 MEN1 (0.61) MEN1KMT2AGLACYP2C9EZH2
SCHEMBL6120920 0.76 MEN1 (0.77) MEN1KMT2AGLACYP2C9EZH2
SCHEMBL8738652 0.76 MEN1 (0.57) MEN1KMT2AGLACYP2C9EZH2
SCHEMBL8739686 0.74 KMT2A (0.57) MEN1KMT2AGLACYP2C9EZH2
SCHEMBL6121185 0.73 EZH2 (0.72) MEN1KMT2AGLACYP2C9EZH2
SCHEMBL9503355 0.70 MEN1 (0.71) MEN1KMT2AGLACYP2C9EZH2
SCHEMBL169747 0.70 EZH2 (0.80) MEN1KMT2AGLACYP2C9EZH2
SCHEMBL8738166 0.70 MEN1 (0.60) MEN1KMT2AGLACYP2C9EZH2

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