SCHEMBL7038113

SCHEMBL7038113

Cc1cn([C@H]2C[C@H](O)[C@@H](C(O)C(=O)c3ccc([N+](=O)[O-])cc3)O2)c(=O)[nH]c1=O

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TK1 P04183 5/20 0.49
TYMS P04818 1/20 0.47

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
SCHEMBL2584182 0.90 TK1 (0.55) TK1
SCHEMBL9321738 0.87 TK1 (0.53) TK1
SCHEMBL9012069 0.87 TK1 (0.53) TK1
SCHEMBL9321653 0.87 TK1 (0.53) TK1
SCHEMBL11202967 0.85 TK1 (0.53) TK1TYMS
SCHEMBL11202965 0.85 TK1 (0.53) TK1TYMS
SCHEMBL5583976 0.80 TK1 (0.61) TK1
SCHEMBL2056547 0.80 TK1 (0.61) TK1
SCHEMBL2056551 0.80 TK1 (0.61) TK1
SCHEMBL1857100 0.80 TYMS (0.53) TK1TYMS

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
EP-0902788-B1 NUCLEOSIDE DERIVATIVES, AND THEIR USE IN OLIGONUCLEOTIDE SYNTHESIS CIS BIO INT (FR) 2003-03-19 EP disclosed
US-6187914-B1 SOLID PHASE SYNTHESIS OF OLIGONUCLEOTIDES USING ELECTROCHEMICALLY LABILE PROTECTING GROUPS WHICH CAN BE REMOVED BY CREATING POTENTIAL DIFFERENCE BETWEEN WORKING ELECTRODE AND COUNTERELECTRODE CIS BIO INTERNATIONAL (FR) 2001-02-13 US disclosed
EP-0902788-A1 NUCLEOSIDE DERIVATIVES, AND THEIR USE IN OLIGONUCLEOTIDE SYNTHESIS CIS BIO INTERNATIONAL (FR) 1999-03-24 EP disclosed
WO-1997042207-A1 NUCLEOSIDE DERIVATIVES, AND THEIR USE IN OLIGONUCLEOTIDE SYNTHESIS CIS BIO INTERNATIONAL (FR) 1997-11-13 WO disclosed