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SCHEMBL9814934

SCHEMBL9814934

CCN(OC)[C@@H](Cc1ccccc1)C(=O)OP(=O)(O)OC(ON=[N+]=[N-])[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 5/20 0.43
▸ TYMS P04818 1/20 0.41
▸ POLB P06746 1/20 0.38
▸ POLA1 P09884 1/20 0.38
▸ POLD1 P28340 1/20 0.38

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
SCHEMBL9814737 0.90 TK1 (0.41) TK1POLBPOLA1POLD1
SCHEMBL9814768 0.89 TK1 (0.42) TK1POLBPOLA1POLD1
SCHEMBL9814738 0.88 TK1 (0.41) TK1POLBPOLA1POLD1
SCHEMBL9814855 0.87 TK1 (0.41) TK1POLBPOLA1POLD1
SCHEMBL9814872 0.85 TK1 (0.41) TK1POLBPOLA1POLD1
SCHEMBL9814813 0.83 ABCG2 (0.39) TK1POLBPOLA1POLD1
SCHEMBL9814873 0.82 ABCG2 (0.40) TK1POLBPOLA1POLD1
SCHEMBL9814884 0.82 TK1 (0.42) TK1POLBPOLA1POLD1
SCHEMBL9011028 0.79 TK1 (0.53) TK1POLBPOLA1POLD1
SCHEMBL2379396 0.78 POLB (0.56) TK1POLBPOLA1POLD1

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
EP-0445201-A1 NUCLEOSIDE ANALOGUES MEDICAL RESEARCH COUNCIL (GB) 1991-09-11 — — EP claimed
WO-1990005736-A2 NUCLEOSIDE ANALOGUES MEDICAL RESEARCH COUNCIL (GB) 1990-05-31 — — WO claimed