SCHEMBL8913115

SCHEMBL8913115

Nc1nc(F)nc2c1ncn2[C@@H]1C[C@H](O)[C@H](CO)S1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 6/20 0.67
▸ LMNA P02545 2/20 0.58
▸ NT5E P21589 2/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ ADORA3 P0DMS8 2/20 0.46
▸ ADORA2A P29274 2/20 0.46
▸ ADORA1 P30542 2/20 0.46
▸ CA5A P35218 1/20 0.46
▸ ADORA2B P29275 1/20 0.46
▸ PDE4D Q08499 2/20 0.46
▸ PDE3A Q14432 2/20 0.46
▸ PNP P00491 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ PDE2A O00408 1/20 0.43
▸ ADRA1A P35348 1/20 0.43

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
SCHEMBL9445342 1.00 AHCY (0.67) AHCYLMNANT5EHIF1AADORA3
SCHEMBL8913103 1.00 AHCY (0.67) AHCYLMNANT5EHIF1AADORA3
SCHEMBL8912036 0.89 AHCY (0.62) AHCYLMNANT5EHIF1AADORA3
SCHEMBL9445334 0.89 AHCY (0.62) AHCYLMNANT5EHIF1AADORA3
SCHEMBL8912042 0.89 AHCY (0.62) AHCYLMNANT5EHIF1AADORA3
SCHEMBL9445425 0.87 PDE4D (0.61) AHCYLMNAADORA3ADORA2AADORA1
SCHEMBL8913282 0.87 PDE4D (0.61) AHCYLMNAADORA3ADORA2AADORA1
SCHEMBL8913285 0.87 PDE4D (0.61) AHCYLMNAADORA3ADORA2AADORA1
SCHEMBL8913539 0.83 AHCY (0.63) AHCYADORA3ADORA2AADORA1ADORA2B
SCHEMBL8913548 0.83 AHCY (0.63) AHCYADORA3ADORA2AADORA1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5591722-A ANTICANCER AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1997-01-07 — — US claimed
EP-0491793-A4 2'-DEOXY-4'-THIORIBONUCLEOSIDES AS ANTIVIRAL AND ANTICANCER AGENTS — 1993-03-03 — — EP claimed
EP-0491793-A1 2'-DEOXY-4'-THIORIBONUCLEOSIDES AS ANTIVIRAL AND ANTICANCER AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1992-07-01 — — EP claimed
WO-1991004033-A1 2'-DEOXY-4'-THIORIBONUCLEOSIDES AS ANTIVIRAL AND ANTICANCER AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1991-04-04 — — WO claimed
US-5591722-A ANTICANCER AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1997-01-07 — — US disclosed
EP-0491793-A4 2'-DEOXY-4'-THIORIBONUCLEOSIDES AS ANTIVIRAL AND ANTICANCER AGENTS — 1993-03-03 — — EP disclosed
EP-0491793-A1 2'-DEOXY-4'-THIORIBONUCLEOSIDES AS ANTIVIRAL AND ANTICANCER AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1992-07-01 — — EP disclosed
WO-1991004033-A1 2'-DEOXY-4'-THIORIBONUCLEOSIDES AS ANTIVIRAL AND ANTICANCER AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1991-04-04 — — WO disclosed
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