SCHEMBL9044825

SCHEMBL9044825

Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1SCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 15/20 0.69
▸ CYP3A4 P08684 2/20 0.69
▸ LMNA P02545 1/20 0.69
▸ RAB9A P51151 1/20 0.69
▸ PKM P14618 1/20 0.69
▸ HPGD P15428 1/20 0.69
▸ SMN1; SMN2 Q16637 1/20 0.69
▸ TP53 P04637 1/20 0.62
▸ HIF1A Q16665 1/20 0.62
▸ ABCC4 O15439 1/20 0.62
▸ SLC28A3 Q9HAS3 1/20 0.62
▸ BLM P54132 1/20 0.62

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
SCHEMBL2489554 0.85 SLC29A1 (0.70) SLC29A1CYP3A4LMNARAB9APKM
SCHEMBL1322160 0.82 SLC29A1 (1.00) SLC29A1CYP3A4LMNARAB9APKM
SCHEMBL29784689 0.82 SLC29A1 (1.00) SLC29A1CYP3A4LMNARAB9APKM
SCHEMBL20579724 0.82 SLC29A1 (1.00) SLC29A1CYP3A4LMNARAB9APKM
SCHEMBL6630142 0.80 ADORA2A (0.60) SLC29A1LMNAHIF1A
SCHEMBL5501017 0.79 ADORA2A (0.76) SLC29A1CYP3A4LMNARAB9APKM
SCHEMBL5501004 0.79 ADORA2A (0.76) SLC29A1CYP3A4LMNARAB9APKM
SCHEMBL11875046 0.79 ADORA3 (0.69) SLC29A1CYP3A4LMNARAB9APKM
SCHEMBL11875079 0.79 ADORA3 (0.69) SLC29A1CYP3A4LMNARAB9APKM
SCHEMBL8893178 0.79 ADORA3 (0.66) SLC29A1CYP3A4LMNARAB9APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0301900-B1 L'utilisation de riboside ou ribotide de l'AICA pour la fabrication d'un médicament contre la crise cardiaque ou l'infarctus du myocarde aux patients souffrant d'athérosclerosis. UNIV CALIFORNIA (US) 1996-03-20 — — EP disclosed
EP-0672418-A2 Use of adenosine monophosphate deaminase inhibitor for increasing extracellular adenosine THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-09-20 — — EP disclosed
US-5118601-A Stabilization of mast cells by suppresion of mast cell activation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1992-06-02 — — US disclosed
US-5030623-A Administering a purine nucleoside compound or analog; antiallergenic THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1991-07-09 — — US disclosed
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