SCHEMBL10684662

SCHEMBL10684662

O=[N+]([O-])c1ccc(C(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 5/20 0.78
▸ ADORA3 P0DMS8 1/20 0.77
▸ ADORA2A P29274 1/20 0.77
▸ ADORA2B P29275 1/20 0.77
▸ ADORA1 P30542 1/20 0.77
▸ TP53 P04637 1/20 0.63
▸ CYP3A4 P08684 1/20 0.63
▸ HIF1A Q16665 1/20 0.63
▸ ABCC4 O15439 1/20 0.63
▸ SLC28A3 Q9HAS3 1/20 0.63
▸ BLM P54132 1/20 0.63

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
SCHEMBL10684673 1.00 SLC29A1 (0.78) SLC29A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL638749 0.88 SLC29A1 (1.00) SLC29A1ADORA3TP53
SCHEMBL20626431 0.88 SLC29A1 (1.00) SLC29A1ADORA3TP53
SCHEMBL14713263 0.88 SLC29A1 (1.00) SLC29A1ADORA3TP53
SCHEMBL3895881 0.88 SLC29A1 (1.00) SLC29A1ADORA3TP53
SCHEMBL638750 0.88 SLC29A1 (1.00) SLC29A1ADORA3TP53
SCHEMBL6852552 0.87 ADORA3 (1.00) SLC29A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL6852543 0.87 ADORA3 (1.00) SLC29A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL12580130 0.87 PRKAG1 (0.74) SLC29A1ADORA3ADORA2ATP53CYP3A4
SCHEMBL20626366 0.87 PRKAG1 (0.74) SLC29A1ADORA3ADORA2ATP53CYP3A4

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-0251339-A2 N6- substituted diarylalkyl adenosines, processes for their production and pharmaceutical compositions comprising the same WARNER-LAMBERT COMPANY (US) 1988-01-07 — — EP disclosed
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