SCHEMBL9970633

SCHEMBL9970633

CN(CCN)C[C@@H]1C[C@@H](OC(C)(C)O)[C@H](n2cnc3c(N)ncnc32)O1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AMD1 P17707 3/20 0.50
EZH2 Q15910 1/20 0.46
DOT1L Q8TEK3 4/20 0.44
PRMT1 Q99873 6/20 0.42
CARM1 Q86X55 3/20 0.42
WDR5 P61964 1/20 0.42
KMT2A Q03164 1/20 0.42
RBBP5 Q15291 1/20 0.42
DPY30 Q9C005 1/20 0.42
ASH2L Q9UBL3 1/20 0.42
AHCY P23526 2/20 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
SCHEMBL25955271 0.85 ADORA3 (0.52) DOT1LKMT2AAHCY
SCHEMBL19711626 0.77 ADORA1 (0.45) AHCY
SCHEMBL18314960 0.76 POLB (0.49) DOT1LKMT2AAHCY
SCHEMBL22797505 0.75 AMD1 (0.58) AMD1EZH2DOT1LKMT2AAHCY
SCHEMBL954272 0.75 AMD1 (0.80) AMD1EZH2DOT1LPRMT1CARM1
SCHEMBL954273 0.75 AMD1 (0.80) AMD1EZH2DOT1LPRMT1CARM1
SCHEMBL24601216 0.74 TYMP (0.43) DOT1LKMT2A
SCHEMBL22143020 0.74 ADA (0.53) DOT1LKMT2A
SCHEMBL19003202 0.74 TYMP (0.43) DOT1LKMT2A
SCHEMBL18314959 0.74 ADA (0.53) DOT1LKMT2A

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