SCHEMBL7256295

SCHEMBL7256295

Cc1cn([C@]2(S(C)(=O)=O)O[C@H](CO)[C@@H](O)C2S(C)(=O)=O)c(=O)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TK1 P04183 4/20 0.39
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
ALB P02768 1/20 0.37
POLB P06746 1/20 0.37
ADRA1A P35348 1/20 0.37
BLM P54132 1/20 0.37
TYMP P19971 2/20 0.36
TK2 O00142 2/20 0.36

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
SCHEMBL27355175 0.90 TK1 (0.40) TK1ALDH1A1LMNAALBPOLB
SCHEMBL14785922 0.76 PYGM (0.35) LMNATYMPTK2
SCHEMBL3345508 0.76 TK1 (0.42) TK1ALDH1A1LMNAALBPOLB
SCHEMBL12658380 0.76 TK1 (0.43) TK1ALDH1A1LMNAALBPOLB
SCHEMBL8904559 0.76 TK1 (0.43) TK1ALDH1A1LMNAALBPOLB
SCHEMBL1825757 0.76 TK1 (0.43) TK1ALDH1A1LMNAALBPOLB
SCHEMBL29041599 0.75 TK1 (0.42) TK1ALDH1A1LMNAALBPOLB
SCHEMBL16042097 0.75 TK1 (0.42) TK1ALDH1A1LMNAALBPOLB
SCHEMBL28072298 0.75 TK1 (0.43) TK1ALDH1A1LMNAALBPOLB
SCHEMBL27349255 0.75 TK1 (0.42) TK1ALDH1A1LMNAALBPOLB

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-6635753-B1 Compound as precipitated solvate selected from stavudine N,N-dimethylacetamide solvate, stavudine N,N-dimethylacrylamide solvate, and stavudine N,N-dimethylpropionamide solvate BRANTFORD CHEMICALS INC. (CA) 2003-10-21 US disclosed