SCHEMBL9780764

SCHEMBL9780764

O=C(Cc1c(Cl)cccc1Cl)NC[C@@H]1O[C@H](n2cc(CCCl)c(=O)[nH]c2=O)CC1O

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TK2 O00142 1/20 0.52
TK1 P04183 1/20 0.52

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
SCHEMBL9780758 1.00 TK2 (0.52) TK2TK1
SCHEMBL9780722 0.93 TK2 (0.62) TK2TK1
SCHEMBL9780717 0.93 TK2 (0.62) TK2TK1
SCHEMBL9780690 0.92
SCHEMBL9780680 0.92
SCHEMBL9780771 0.89
SCHEMBL9780780 0.89
SCHEMBL9780739 0.89
SCHEMBL9780625 0.89 TK1 (0.58) TK1
SCHEMBL9780616 0.89 TK1 (0.58) TK1

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-0257378-B1 PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1991-07-03 EP claimed
US-4851519-A AMIDO NUCLEOSIDES, VIRICIDES HOFFMANN-LA ROCHE INC. (US) 1989-07-25 US claimed
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