SCHEMBL9811615

SCHEMBL9811615

C#Cc1cn([C@H]2C[C@H](O)[C@@H](COC(=O)c3ccc(Cl)cc3)O2)c(=O)[nH]c1=O

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.46

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
SCHEMBL10763077 1.00 TYMS (0.46) TYMS
SCHEMBL10494667 0.91 TYMS (0.54) TYMS
SCHEMBL9811607 0.91 TYMS (0.54) TYMS
SCHEMBL9811636 0.89 TYMS (0.57) TYMS
SCHEMBL9811641 0.89 TYMS (0.57) TYMS
SCHEMBL9811657 0.89 UPP1 (0.52)
SCHEMBL9012072 0.87 POLB (0.57)
SCHEMBL9321729 0.87 POLB (0.57)
SCHEMBL9321645 0.87 POLB (0.57)
SCHEMBL5709916 0.87 POLB (0.57)

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-0208550-B1 ANTIVIRAL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1991-05-22 EP disclosed
EP-0208550-A2 Antiviral compounds THE WELLCOME FOUNDATION LIMITED (GB) 1987-01-14 EP disclosed