SCHEMBL9548782

SCHEMBL9548782

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC28A1 O00337 1/20 0.56
SLC28A2 O43868 1/20 0.56
ADA P00813 1/20 0.54
ADORA2A P29274 3/20 0.54
AHCY P23526 4/20 0.52
ADORA2B P29275 1/20 0.52
ADORA3 P0DMS8 2/20 0.52
PRMT5 O14744 1/20 0.52
WDR77 Q9BQA1 1/20 0.52
EGFR P00533 1/20 0.52
ERBB2 P04626 1/20 0.52
PI4KA P42356 1/20 0.52
PI4K2B Q8TCG2 1/20 0.52
PI4K2A Q9BTU6 1/20 0.52
PI4KB Q9UBF8 1/20 0.52
TP53 P04637 1/20 0.50
CYP2C9 P11712 1/20 0.50
NFKB1 P19838 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL9548772 1.00 SLC28A1 (0.56) SLC28A1SLC28A2ADAADORA2AAHCY
SCHEMBL13978282 0.87 SLC28A1 (0.57) SLC28A1SLC28A2ADAADORA2AAHCY
SCHEMBL12386691 0.85 SLC28A1 (0.53) SLC28A1SLC28A2ADAADORA2AAHCY
SCHEMBL9548611 0.85 AHCY (0.53) SLC28A1SLC28A2ADORA2AAHCYADORA3
SCHEMBL9548618 0.85 AHCY (0.53) SLC28A1SLC28A2ADORA2AAHCYADORA3
SCHEMBL25397652 0.83 SLC28A1 (0.53) SLC28A1SLC28A2ADAADORA2AAHCY
SCHEMBL12736902 0.83 PDE4D (0.61) ADORA2AADORA2BADORA3TP53
SCHEMBL24195283 0.83 AHCY (0.54) SLC28A1SLC28A2ADAADORA2AAHCY
SCHEMBL21614181 0.83 AHCY (0.54) SLC28A1SLC28A2ADAADORA2AAHCY
SCHEMBL20670946 0.83 AHCY (0.54) SLC28A1SLC28A2ADAADORA2AAHCY

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