SCHEMBL9970701

SCHEMBL9970701

CC(C)(C)c1ccc(NC(=O)NCCCC[S+]([O-])C[C@H]2OC(n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 20/20 0.75
DNMT1 P26358 1/20 0.70

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
SCHEMBL9970113 1.00 DOT1L (0.75) DOT1LDNMT1
SCHEMBL9970254 0.98 DOT1L (0.76) DOT1LDNMT1
SCHEMBL9937394 0.98 DOT1L (0.76) DOT1LDNMT1
SCHEMBL9937398 0.98 DOT1L (0.76) DOT1LDNMT1
SCHEMBL17573556 0.95 DOT1L (0.73) DOT1LDNMT1
SCHEMBL15395477 0.88 DOT1L (0.61) DOT1LDNMT1
SCHEMBL9970702 0.86 DOT1L (0.96) DOT1LDNMT1
SCHEMBL9970111 0.86 DOT1L (0.96) DOT1LDNMT1
SCHEMBL9970300 0.86 DOT1L (0.61) DOT1LDNMT1
SCHEMBL9940551 0.86 DOT1L (0.61) DOT1LDNMT1

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