SCHEMBL18744101

SCHEMBL18744101

COCC[C@H]1O[C@@H](n2cnc(C(=N)N)n2)[C@H](O)[C@@H]1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 5/20 0.70
▸ LMNA P02545 3/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ GLA P06280 1/20 0.54
▸ EIF4E P06730 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ TOP1 P11387 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ ADORA1 P30542 1/20 0.54
▸ THPO P40225 1/20 0.54
▸ PMP22 Q01453 1/20 0.54
▸ ADORA3 P0DMS8 1/20 0.35
▸ FBP1 P09467 1/20 0.33
▸ ATIC P31939 1/20 0.33
▸ EHMT1 Q9H9B1 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ ADK P55263 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL15788463 0.88 PNP (0.73) PNPLMNASMN1; SMN2ALDH1A1GLA
SCHEMBL13606969 0.83 PNP (0.69) PNPLMNASMN1; SMN2ALDH1A1GLA
Taribavirin SCHEMBL4967368 0.83 PNP (1.00) PNPLMNASMN1; SMN2ALDH1A1GLA
Taribavirin SCHEMBL18735565 0.83 PNP (1.00) PNPLMNASMN1; SMN2ALDH1A1GLA
Taribavirin SCHEMBL3307695 0.83 PNP (1.00) PNPLMNASMN1; SMN2ALDH1A1GLA
Taribavirin SCHEMBL2631656 0.83 PNP (1.00) PNPLMNASMN1; SMN2ALDH1A1GLA
Taribavirin SCHEMBL12758161 0.83 PNP (1.00) PNPLMNASMN1; SMN2ALDH1A1GLA
Taribavirin SCHEMBL16330745 0.83 PNP (1.00) PNPLMNASMN1; SMN2ALDH1A1GLA
Taribavirin SCHEMBL6981526 0.83 PNP (1.00) PNPLMNASMN1; SMN2ALDH1A1GLA
Taribavirin SCHEMBL3307685 0.83 PNP (1.00) PNPLMNASMN1; SMN2ALDH1A1GLA

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-9624249-B2 Nucleoside kinase bypass compositions and methods MERCK SHARP & DOHME CORP. (US) 2017-04-18 — — US disclosed
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