SCHEMBL17865918

SCHEMBL17865918

O=S(=O)(O)NC[C@@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)C[C@@H]1O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 2/20 0.62
▸ ADORA3 P0DMS8 8/20 0.56
▸ TP53 P04637 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ DNPH1 O43598 1/20 0.54
▸ PDE4A P27815 1/20 0.52
▸ PDE4B Q07343 1/20 0.52
▸ PDE4C Q08493 1/20 0.52
▸ PDE4D Q08499 1/20 0.52
▸ TSHR P16473 1/20 0.51
▸ P2RX3 P56373 1/20 0.51
▸ P2RX2 Q9UBL9 1/20 0.51

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
SCHEMBL2288108 0.87 SLC29A1 (0.76) SLC29A1ADORA3TP53TDP1NPC1
SCHEMBL21011278 0.87 SLC29A1 (0.76) SLC29A1ADORA3TP53TDP1NPC1
SCHEMBL27183207 0.87 SLC29A1 (0.76) SLC29A1ADORA3TP53TDP1NPC1
SCHEMBL23982158 0.87 SLC29A1 (0.76) SLC29A1ADORA3TP53TDP1NPC1
SCHEMBL2288114 0.87 SLC29A1 (0.76) SLC29A1ADORA3TP53TDP1NPC1
SCHEMBL23982135 0.87 SLC29A1 (0.76) SLC29A1ADORA3TP53TDP1NPC1
SCHEMBL14873532 0.87 SLC29A1 (0.76) SLC29A1ADORA3TP53TDP1NPC1
SCHEMBL17875220 0.86 SLC29A1 (0.60) SLC29A1ADORA3TP53TDP1NPC1
SCHEMBL1796246 0.86 SLC29A1 (0.60) SLC29A1ADORA3TP53TDP1NPC1
SCHEMBL10186161 0.86 SLC29A1 (0.60) SLC29A1ADORA3TP53TDP1NPC1

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
EP-2402334-B1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARM INC (US) 2016-06-29 — — EP claimed
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