SCHEMBL9548828

SCHEMBL9548828

N#C[C@]1(CO)O[C@@H](n2cnc3c(N)ncnc32)CC1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC28A1 O00337 1/20 0.53
SLC28A2 O43868 1/20 0.53
ADA P00813 1/20 0.50
AHCY P23526 6/20 0.48
ADORA3 P0DMS8 2/20 0.48
ADORA2A P29274 2/20 0.48
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
ADORA2B P29275 1/20 0.48
TP53 P04637 1/20 0.46
CYP2C9 P11712 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
APEX1 P27695 1/20 0.46
PI4KA P42356 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL9548815 1.00 SLC28A1 (0.53) SLC28A1SLC28A2ADAAHCYADORA3
SCHEMBL2525367 0.89 SLC28A1 (0.53) SLC28A1SLC28A2ADAAHCYADORA3
SCHEMBL2525364 0.89 SLC28A1 (0.53) SLC28A1SLC28A2ADAAHCYADORA3
SCHEMBL29654853 0.89 SLC28A1 (0.53) SLC28A1SLC28A2ADAAHCYADORA3
SCHEMBL31652753 0.89 SLC28A1 (0.53) SLC28A1SLC28A2ADAAHCYADORA3
SCHEMBL18670634 0.89 SLC28A1 (0.53) SLC28A1SLC28A2ADAAHCYADORA3
SCHEMBL9548676 0.87 AHCY (0.50) SLC28A1SLC28A2AHCYADORA3ADORA2A
SCHEMBL9548688 0.87 AHCY (0.50) SLC28A1SLC28A2AHCYADORA3ADORA2A
SCHEMBL12237558 0.87 AHCY (0.50) SLC28A1SLC28A2AHCYADORA3ADORA2A
SCHEMBL2523180 0.85 AHCY (0.52) SLC28A1SLC28A2AHCYADORA3ADORA2A

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
US-5192749-A Viricide, AIDS SYNTEX (U.S.A.) INC. (US) 1993-03-09 US disclosed