SCHEMBL723530

SCHEMBL723530

OC[C@H]1OC(n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.98

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.98
SLC29A1 Q99808 2/20 0.98
TP53 P04637 1/20 0.98
TDP1 Q9NUW8 1/20 0.98
ADORA2A P29274 6/20 0.80
ADORA1 P30542 6/20 0.80
NFKB1 P19838 1/20 0.80
THPO P40225 1/20 0.80
TSHR P16473 1/20 0.80
ADORA2B P29275 1/20 0.78

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
SCHEMBL13987696 1.00 ADORA3 (0.98) ADORA3SLC29A1TP53TDP1ADORA2A
SCHEMBL29974963 1.00 ADORA3 (0.98) ADORA3SLC29A1TP53TDP1ADORA2A
SCHEMBL25167728 1.00 ADORA3 (0.98) ADORA3SLC29A1TP53TDP1ADORA2A
N6-Benzyladenosine SCHEMBL472635 0.99 ADORA3 (1.00) ADORA3SLC29A1TP53TDP1ADORA2A
N6-Benzyladenosine SCHEMBL15614834 0.99 ADORA3 (1.00) ADORA3SLC29A1TP53TDP1ADORA2A
N6-Benzyladenosine SCHEMBL472637 0.99 ADORA3 (1.00) ADORA3SLC29A1TP53TDP1ADORA2A
N6-Benzyladenosine SCHEMBL23982413 0.99 ADORA3 (1.00) ADORA3SLC29A1TP53TDP1ADORA2A
N6-Benzyladenosine SCHEMBL3283829 0.99 ADORA3 (1.00) ADORA3SLC29A1TP53TDP1ADORA2A
N6-Benzyladenosine SCHEMBL219439 0.99 ADORA3 (1.00) ADORA3SLC29A1TP53TDP1ADORA2A
N6-Benzyladenosine SCHEMBL20419282 0.99 ADORA3 (1.00) ADORA3SLC29A1TP53TDP1ADORA2A

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
EP-1671616-B1 Hair growth promoter composition LION CORP (JP) 2012-02-29 EP claimed