SCHEMBL13688488

SCHEMBL13688488

OCC1OC(n2cnc3c(SCc4ccc(N(O)O)cc4)ncnc32)C(O)C1O

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 16/20 0.79
▸ STAT6 P42226 1/20 0.79
▸ TP53 P04637 1/20 0.73
▸ CYP3A4 P08684 1/20 0.73
▸ HIF1A Q16665 1/20 0.73
▸ ABCC4 O15439 1/20 0.73
▸ SLC28A3 Q9HAS3 1/20 0.73
▸ BLM P54132 1/20 0.73

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
6-Benzylthioinosine SCHEMBL7617380 0.88 SLC29A1 (1.00) SLC29A1STAT6
6-Benzylthioinosine SCHEMBL7617372 0.88 SLC29A1 (1.00) SLC29A1STAT6
6-Benzylthioinosine SCHEMBL3676029 0.88 SLC29A1 (1.00) SLC29A1STAT6
6-Benzylthioinosine SCHEMBL15427008 0.88 SLC29A1 (1.00) SLC29A1STAT6
SCHEMBL23323472 0.87 SLC29A1 (0.79) SLC29A1STAT6TP53CYP3A4HIF1A
Nitrobenzylmercaptopurine Ribonucleoside SCHEMBL29374837 0.84 SLC29A1 (1.00) SLC29A1STAT6TP53CYP3A4HIF1A
Nitrobenzylmercaptopurine Ribonucleoside SCHEMBL1321676 0.84 SLC29A1 (1.00) SLC29A1STAT6TP53CYP3A4HIF1A
Nitrobenzylmercaptopurine Ribonucleoside SCHEMBL290702 0.84 SLC29A1 (1.00) SLC29A1STAT6TP53CYP3A4HIF1A
Nitrobenzylmercaptopurine Ribonucleoside SCHEMBL7617534 0.84 SLC29A1 (1.00) SLC29A1STAT6TP53CYP3A4HIF1A
SCHEMBL27424276 0.84 SLC29A1 (0.79) SLC29A1STAT6TP53CYP3A4HIF1A

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-7582616-B2 Nucleoside transport inhibitors QUESREMA ENTERPRISES LLC (US) 2009-09-01 — — US disclosed
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