SCHEMBL17859778

SCHEMBL17859778

CCN(CC)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 2/20 0.75
KMT2A Q03164 2/20 0.73
DPP4 P27487 1/20 0.73
MEN1 O00255 1/20 0.73
SLC28A1 O00337 1/20 0.73
MAP3K7 O43318 1/20 0.73
SLC28A2 O43868 1/20 0.73
GAPDH P04406 1/20 0.73
ADORA3 P0DMS8 1/20 0.73
MAPK1 P28482 1/20 0.73
ADORA2A P29274 1/20 0.73
ADORA2B P29275 1/20 0.73
ADORA1 P30542 1/20 0.73
STAT6 P42226 1/20 0.73
PI4KA P42356 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
PI4K2B Q8TCG2 1/20 0.73
SLC29A1 Q99808 1/20 0.73
PI4K2A Q9BTU6 1/20 0.73
SLC28A3 Q9HAS3 1/20 0.73

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
Adenosine SCHEMBL4649243 0.90 ADORA3 (0.87) DOT1LKMT2ADPP4MEN1SLC28A1
SCHEMBL952928 0.90 DOT1L (0.80) DOT1LKMT2ADPP4MEN1SLC28A1
SCHEMBL952929 0.90 DOT1L (0.80) DOT1LKMT2ADPP4MEN1SLC28A1
SCHEMBL6901255 0.90 DOT1L (0.80) DOT1LKMT2ADPP4MEN1SLC28A1
SCHEMBL19111329 0.90 AMD1 (0.77) DOT1LKMT2ADPP4MEN1SLC28A1
SCHEMBL19760474 0.89 DOT1L (0.76) DOT1LKMT2ADPP4MEN1SLC28A1
SCHEMBL9156208 0.89 DOT1L (0.64) DOT1LKMT2ADPP4MEN1SLC28A1
SCHEMBL9156212 0.89 DOT1L (0.64) DOT1LKMT2ADPP4MEN1SLC28A1
SCHEMBL12222453 0.88 DOT1L (0.80) DOT1LKMT2ADPP4MEN1SLC28A1
SCHEMBL21160482 0.88 DOT1L (0.80) DOT1LKMT2ADPP4MEN1SLC28A1

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-2016098028-A1 END CAPPED NUCLEIC ACID MOLECULES NOVARTIS AG (CH) 2016-06-23 WO disclosed