SCHEMBL5273825

SCHEMBL5273825

COc1ccc(CSc2ncnc3c2ncn3[C@@H]2O[C@H](CNS(=O)(=O)O)[C@@H](O)[C@H]2O)cc1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 14/20 0.77
▸ STAT6 P42226 1/20 0.59
▸ TP53 P04637 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ ABCC4 O15439 1/20 0.58
▸ SLC28A3 Q9HAS3 1/20 0.58
▸ BLM P54132 1/20 0.58

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
SCHEMBL1795761 0.93 SLC29A1 (0.76) SLC29A1STAT6TP53CYP3A4HIF1A
SCHEMBL24505818 0.83 SLC29A1 (0.76) SLC29A1STAT6TP53CYP3A4HIF1A
SCHEMBL20435031 0.83 SLC29A1 (0.72) SLC29A1STAT6TP53CYP3A4HIF1A
SCHEMBL20434985 0.81 SLC29A1 (0.70) SLC29A1STAT6TP53CYP3A4HIF1A
SCHEMBL24505763 0.81 SLC29A1 (0.70) SLC29A1STAT6TP53CYP3A4HIF1A
SCHEMBL1798057 0.77 ADORA3 (0.64) SLC29A1TP53
SCHEMBL18631605 0.77 SLC29A1 (0.59) SLC29A1STAT6TP53CYP3A4HIF1A
SCHEMBL20097181 0.76 — —
SCHEMBL27424276 0.76 SLC29A1 (0.79) SLC29A1STAT6TP53CYP3A4HIF1A
SCHEMBL23323472 0.76 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1848718-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-10-31 — — EP disclosed
WO-2006084281-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-10 — — WO disclosed
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