Nitrobenzylmercaptopurine Ribonucleoside

Nitrobenzylmercaptopurine Ribonucleoside

SCHEMBL7617534

O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 13/20 1.00
▸ CYP3A4 P08684 2/20 1.00
▸ TP53 P04637 1/20 1.00
▸ HIF1A Q16665 1/20 1.00
▸ ABCC4 O15439 1/20 1.00
▸ SLC28A3 Q9HAS3 1/20 1.00
▸ BLM P54132 1/20 1.00
▸ LMNA P02545 1/20 0.77
▸ RAB9A P51151 1/20 0.77
▸ PKM P14618 1/20 0.77
▸ HPGD P15428 1/20 0.77
▸ SMN1; SMN2 Q16637 1/20 0.77
▸ STAT6 P42226 1/20 0.75

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
Nitrobenzylmercaptopurine Ribonucleoside SCHEMBL290702 1.00 SLC29A1 (1.00) SLC29A1CYP3A4TP53HIF1AABCC4
Nitrobenzylmercaptopurine Ribonucleoside SCHEMBL29374837 1.00 SLC29A1 (1.00) SLC29A1CYP3A4TP53HIF1AABCC4
Nitrobenzylmercaptopurine Ribonucleoside SCHEMBL1321676 1.00 SLC29A1 (1.00) SLC29A1CYP3A4TP53HIF1AABCC4
SCHEMBL1763081 0.87 SLC29A1 (1.00) SLC29A1CYP3A4TP53HIF1AABCC4
SCHEMBL20579724 0.87 SLC29A1 (1.00) SLC29A1CYP3A4TP53HIF1AABCC4
SCHEMBL1322160 0.87 SLC29A1 (1.00) SLC29A1CYP3A4TP53HIF1AABCC4
SCHEMBL29784689 0.87 SLC29A1 (1.00) SLC29A1CYP3A4TP53HIF1AABCC4
6-Benzylthioinosine SCHEMBL3676029 0.86 SLC29A1 (1.00) SLC29A1STAT6
6-Benzylthioinosine SCHEMBL7617372 0.86 SLC29A1 (1.00) SLC29A1STAT6
6-Benzylthioinosine SCHEMBL7617380 0.86 SLC29A1 (1.00) SLC29A1STAT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3060566-A1 COMPOUNDS FOR USE IN PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES AND PAIN Academia Sinica (TW) 2016-08-31 — — EP disclosed
WO-2015061426-A1 COMPOUNDS FOR USE IN PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES AND PAIN ACADEMIA SINICA (TW) 2015-04-30 — — WO disclosed
EP-0755255-A4 TREATMENT OF TOXOPLASMOSIS RES CORP TECHNOLOGIES INC (US) 2002-07-24 — — EP disclosed
US-5773424-A PARASITICIDE RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1998-06-30 — — US disclosed
EP-0755255-A1 TREATMENT OF TOXOPLASMOSIS UNIVERSITY OF ALABAMA, BIRMINGHAM RESEARCH FOUNDATION (US) 1997-01-29 — — EP disclosed
WO-1996018398-A1 TREATMENT OF TOXOPLASMOSIS THE UNIVERSITY OF ALABAMA AT BIRMINGHAM RESEARCH FOUNDATION (US) 1996-06-20 — — WO disclosed
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