SCHEMBL17227477

SCHEMBL17227477

CNCCNC(=O)c1cccc(OCC(N=[N+]=[N-])OCCOCC(=O)NCC#Cc2cn([C@H]3C[C@@H](OCN=[N+]=[N-])[C@@H](COP(=O)(O)OP(=O)(O)OP(C)(=O)O)O3)c3ncnc(N)c23)c1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.33
▸ NADK O95544 2/20 0.30

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
SCHEMBL25541258 0.98 CA2 (0.33) CA2NADK
SCHEMBL13891880 0.94 CA2 (0.32) CA2
SCHEMBL17523546 0.94 CA2 (0.34) CA2NADK
SCHEMBL14806825 0.94 CA2 (0.34) CA2NADK
SCHEMBL14820596 0.94 CA2 (0.34) CA2NADK
SCHEMBL27102629 0.93 CA2 (0.33) CA2NADK
SCHEMBL17636632 0.92 CA2 (0.32) CA2
SCHEMBL24518381 0.92 CA2 (0.34) CA2
SCHEMBL21022513 0.91 CA2 (0.33) CA2
SCHEMBL17227479 0.90 CA2 (0.30) CA2

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
EP-2940029-A1 DESIGN AND SYNTHESIS OF CLEAVABLE FLUORESCENT NUCLEOTIDES AS REVERSIBLE TERMINATORS FOR DNA SEQUENCING BY SYNTHESIS The Trustees of Columbia University in the City of New York (US) 2015-11-04 — — EP disclosed
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