SCHEMBL6841422

SCHEMBL6841422

Nc1nc(N)c2ncn([C@@H]3O[C@H](C[O])[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.67
▸ ADORA3 P0DMS8 4/20 0.65
▸ ADORA2A P29274 3/20 0.65
▸ HINT1 P49773 2/20 0.65
▸ LMNA P02545 1/20 0.63
▸ HIF1A Q16665 1/20 0.63
▸ SLC29A1 Q99808 1/20 0.62
▸ HSP90B1 P14625 1/20 0.62
▸ ADORA2B P29275 2/20 0.61
▸ CYP2C19 P33261 1/20 0.60
▸ ADORA1 P30542 1/20 0.59

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
SCHEMBL9153707 0.90 NT5E (0.64) NT5EADORA3ADORA2AHINT1LMNA
SCHEMBL972927 0.89 LMNA (0.78) NT5EADORA3ADORA2ALMNAHIF1A
SCHEMBL16579288 0.89 LMNA (0.78) NT5EADORA3ADORA2ALMNAHIF1A
SCHEMBL10176676 0.89 LMNA (0.78) NT5EADORA3ADORA2ALMNAHIF1A
SCHEMBL20419174 0.89 LMNA (0.78) NT5EADORA3ADORA2ALMNAHIF1A
SCHEMBL24359132 0.89 LMNA (0.78) NT5EADORA3ADORA2ALMNAHIF1A
SCHEMBL10159432 0.89 LMNA (0.78) NT5EADORA3ADORA2ALMNAHIF1A
SCHEMBL3741590 0.89 LMNA (0.78) NT5EADORA3ADORA2ALMNAHIF1A
SCHEMBL22559823 0.89 LMNA (0.78) NT5EADORA3ADORA2ALMNAHIF1A
SCHEMBL114918 0.89 LMNA (0.78) NT5EADORA3ADORA2ALMNAHIF1A

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
US-6756496-B1 SUCH AS TRIETHYLAMMONIUM-5'-DIMETHOXYTRITYL-3'-THYMIDINE-HYDROGEN PHOSPHONONDITHIOATE FOR USE AS ANTIVIRAL AND ANTICANCER AGENTS ISIS PHARMACEUTICALS, INC. 2004-06-29 — — US claimed
US-5565555-A Nucleoside hydrogen phosphonodithioate diesters and activated phosphonodithioate analogues GILEAD SCIENCES, INC. (US) 1996-10-15 — — US claimed
US-5194599-A Forming linkages with nuclosides and nucleotides; viricides, anticarcinogenic agents GILEAD SCIENCES, INC. (US) 1993-03-16 — — US claimed
EP-0360609-A2 Novel hydrogen phosphonodithioate compositions GILEAD SCIENCES, INC. (US) 1990-03-28 — — EP claimed
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