SCHEMBL9228859

SCHEMBL9228859

O=[N+]([O-])c1ccc(CONc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 11/20 0.77
▸ TP53 P04637 1/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ HIF1A Q16665 1/20 0.67
▸ ABCC4 O15439 1/20 0.67
▸ SLC28A3 Q9HAS3 1/20 0.67
▸ BLM P54132 1/20 0.67

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
SCHEMBL9228887 1.00 SLC29A1 (0.77) SLC29A1TP53CYP3A4HIF1AABCC4
SCHEMBL3895881 0.87 SLC29A1 (1.00) SLC29A1TP53
SCHEMBL20626431 0.87 SLC29A1 (1.00) SLC29A1TP53
SCHEMBL638749 0.87 SLC29A1 (1.00) SLC29A1TP53
SCHEMBL14713263 0.87 SLC29A1 (1.00) SLC29A1TP53
SCHEMBL638750 0.87 SLC29A1 (1.00) SLC29A1TP53
SCHEMBL8819317 0.87 ADORA3 (0.74) SLC29A1TP53CYP3A4HIF1A
SCHEMBL8819300 0.87 ADORA3 (0.74) SLC29A1TP53CYP3A4HIF1A
SCHEMBL10684662 0.82 SLC29A1 (0.78) SLC29A1TP53CYP3A4HIF1AABCC4
SCHEMBL10684673 0.82 SLC29A1 (0.78) SLC29A1TP53CYP3A4HIF1AABCC4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0607367-A1 NOVEL ADENOSINE DERIVATIVES NOVO NORDISK A/S (DK) 1994-07-27 — — EP claimed
WO-1993023417-A1 NOVEL ADENOSINE DERIVATIVES NOVO NORDISK A/S (DK) 1993-11-25 — — WO claimed
US-5430027-A 2-chloro-N6 -substituted adenosines, their pharmaceutical compositions, and activity in treating ischemias NOVO NORDISK A/S (DK) 1995-07-04 — — US disclosed
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