SCHEMBL9970246

SCHEMBL9970246

CN(CCCNC(=O)Nc1ccc(F)c(Cl)c1)C[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 18/20 0.75
DNMT1 P26358 1/20 0.63
EZH2 Q15910 1/20 0.56

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
SCHEMBL9936467 1.00 DOT1L (0.75) DOT1LDNMT1EZH2
SCHEMBL9936470 1.00 DOT1L (0.75) DOT1LDNMT1EZH2
SCHEMBL9940747 0.94 DOT1L (0.78) DOT1LDNMT1EZH2
SCHEMBL9940749 0.94 DOT1L (0.78) DOT1LDNMT1EZH2
SCHEMBL9970650 0.92 DOT1L (0.76) DOT1LDNMT1EZH2
SCHEMBL9942302 0.92 DOT1L (0.76) DOT1LDNMT1EZH2
SCHEMBL9942303 0.92 DOT1L (0.76) DOT1LDNMT1EZH2
SCHEMBL17568800 0.92 DOT1L (0.84) DOT1LDNMT1EZH2
SCHEMBL9937271 0.92 DOT1L (0.84) DOT1LDNMT1EZH2
SCHEMBL9937269 0.92 DOT1L (0.84) DOT1LDNMT1EZH2

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-2012082436-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-21 WO disclosed