SCHEMBL9780576

SCHEMBL9780576

CCc1cn([C@@H]2CC(I)[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TK1 P04183 1/20 0.47
TYMS P04818 1/20 0.46
TYMP P19971 1/20 0.45

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
SCHEMBL9780568 1.00 TK1 (0.47) TK1TYMSTYMP
SCHEMBL6328992 0.89 RNASE1 (0.52) TK1
SCHEMBL6328988 0.89 RNASE1 (0.52) TK1
SCHEMBL3066187 0.89 TYMP (0.57) TK1TYMSTYMP
SCHEMBL3065197 0.89 TK1 (0.47) TK1
SCHEMBL3065199 0.89 TK1 (0.47) TK1
SCHEMBL3066188 0.89 TYMP (0.57) TK1TYMSTYMP
SCHEMBL9780967 0.88 TK1 (0.46) TK1TYMP
SCHEMBL9780963 0.88 TK1 (0.46) TK1TYMP
SCHEMBL9780827 0.85 TK1 (0.44) TK1TYMSTYMP

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
US-5010060-A Method of treating herpes simplex viral infection employing pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 1991-04-23 US disclosed
US-4851519-A AMIDO NUCLEOSIDES, VIRICIDES HOFFMANN-LA ROCHE INC. (US) 1989-07-25 US disclosed
US-4841039-A 2',3'-dideoxy-5-substituted uridines and related compounds as antiviral agents EMORY UNIVERSITY (US) 1989-06-20 US disclosed
US-4681933-A 2',3'-dideoxy-5-substituted uridines and related compounds as antiviral agents UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1987-07-21 US disclosed