SCHEMBL6839232

SCHEMBL6839232

C[C@@H]1[C@H](O)[C@@H](C[O])O[C@H]1n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 5/20 0.59
▸ NT5E P21589 1/20 0.57
▸ GSK3A P49840 2/20 0.54
▸ RPS6KA3 P51812 2/20 0.54
▸ MAPK14 Q16539 2/20 0.54
▸ TGM2 P21980 1/20 0.53
▸ HPGD P15428 2/20 0.52
▸ STING1 Q86WV6 2/20 0.52
▸ PDE3B Q13370 1/20 0.52
▸ PDE3A Q14432 1/20 0.52
▸ PNP P00491 1/20 0.51
▸ FUT5 Q11128 1/20 0.51
▸ TAAR1 Q96RJ0 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.49

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
SCHEMBL1115914 0.92 HPGD (0.62) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL14143259 0.92 HPGD (0.62) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL412371 0.92 HPGD (0.62) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL19831524 0.92 HPGD (0.62) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL22475009 0.89 HINT1 (0.64) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL14440994 0.88 HPGD (0.63) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL21232923 0.87 HINT1 (0.56) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL1738418 0.86 HPGD (0.64) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL1738417 0.86 HPGD (0.64) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL16317882 0.86 HPGD (0.64) HINT1NT5EGSK3ARPS6KA3MAPK14

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 disclosed
US-5565555-A Nucleoside hydrogen phosphonodithioate diesters and activated phosphonodithioate analogues GILEAD SCIENCES, INC. (US) 1996-10-15 — — US disclosed
US-5194599-A Forming linkages with nuclosides and nucleotides; viricides, anticarcinogenic agents GILEAD SCIENCES, INC. (US) 1993-03-16 — — US disclosed
EP-0360609-A2 Novel hydrogen phosphonodithioate compositions GILEAD SCIENCES, INC. (US) 1990-03-28 — — EP disclosed
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