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Sugi Predict / Compounds / SCHEMBL8996049

SCHEMBL8996049

SCHEMBL8996049

Cc1cn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](OS(C)(=O)=O)[C@H]2OS(C)(=O)=O)c(=O)[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TK2 O00142 10/20 0.48
▸ TK1 P04183 7/20 0.47
▸ HSP90AA1 P07900 1/20 0.42
▸ TYMP P19971 1/20 0.41

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
SCHEMBL10595534 1.00 TK2 (0.48) TK2TK1HSP90AA1TYMP
SCHEMBL2579564 0.95 TK2 (0.46) TK2TK1HSP90AA1TYMP
SCHEMBL2578129 0.95 TK2 (0.46) TK2TK1HSP90AA1TYMP
SCHEMBL2583179 0.92 TK2 (0.46) TK2TK1HSP90AA1TYMP
SCHEMBL2800043 0.92 TK2 (0.46) TK2TK1HSP90AA1TYMP
SCHEMBL2583808 0.86 HSP90AA1 (0.40) TK2TK1HSP90AA1TYMP
SCHEMBL2581503 0.86 TK1 (0.45) TK2TK1HSP90AA1TYMP
SCHEMBL2584866 0.86 HSP90AA1 (0.40) TK2TK1HSP90AA1TYMP
SCHEMBL2583318 0.86 HSP90AA1 (0.52) TK2TK1HSP90AA1TYMP
SCHEMBL2584920 0.86 TK1 (0.45) TK2TK1HSP90AA1TYMP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5506215-A EXHIBIT ANTIVIRAL ACTIVITY AGAINST HIV MEDIVIR AB (SE) 1996-04-09 — — US disclosed
US-5410033-A Deoxygenation of cis vicinal diols to make didehydro dideoxy nucleosidies and synthetic intermediates TEROCHEM LABORATORIES LIMITED (CA) 1995-04-25 — — US disclosed