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SCHEMBL8739211

SCHEMBL8739211

CC1(C)CC(NC(=O)c2ccc(N3CCOC(c4ccccc4)C3)c(Cl)c2)CC(C)(C)N1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ EZH2 Q15910 10/20 0.49
▸ CYP2C9 P11712 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ MITF O75030 1/20 0.46
▸ RAD52 P43351 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ POLB P06746 1/20 0.42

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
SCHEMBL8738120 0.86 MEN1 (0.60) MEN1KMT2AEZH2CYP2C9GLA
SCHEMBL8739451 0.79 MEN1 (0.55) MEN1KMT2AEZH2CYP2C9GLA
SCHEMBL8738166 0.77 MEN1 (0.60) MEN1KMT2AEZH2CYP2C9GLA
SCHEMBL8738999 0.73 KMT2A (0.59) MEN1KMT2AEZH2CYP2C9GLA
SCHEMBL8738574 0.73 MEN1 (0.56) MEN1KMT2AEZH2CYP2C9GLA
SCHEMBL8739672 0.72 MEN1 (0.61) MEN1KMT2AEZH2CYP2C9GLA
SCHEMBL8738652 0.72 MEN1 (0.57) MEN1KMT2AEZH2CYP2C9GLA
SCHEMBL8739686 0.72 KMT2A (0.57) MEN1KMT2AEZH2CYP2C9GLA
SCHEMBL6120920 0.71 MEN1 (0.77) MEN1KMT2AEZH2CYP2C9GLA
SCHEMBL6119756 0.71 EZH2 (0.77) MEN1KMT2AEZH2

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