SCHEMBL8813675

SCHEMBL8813675

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

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.68
TK2 O00142 1/20 0.68
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL8813666 1.00 TK1 (0.68) TK1TK2LMNASMN1; SMN2
SCHEMBL9780562 0.92 TK1 (0.81) TK1TK2LMNASMN1; SMN2
SCHEMBL9780573 0.92 TK1 (0.81) TK1TK2LMNASMN1; SMN2
SCHEMBL12983958 0.91 TK1 (0.63) TK1TK2LMNASMN1; SMN2
Edoxudine SCHEMBL5983091 0.89 TK1 (0.84) TK1TK2LMNASMN1; SMN2
Edoxudine SCHEMBL5983087 0.89 TK1 (0.84) TK1TK2LMNASMN1; SMN2
Edoxudine SCHEMBL65579 0.89 TK1 (0.84) TK1TK2LMNASMN1; SMN2
Edoxudine SCHEMBL21389875 0.89 TK1 (0.84) TK1TK2LMNASMN1; SMN2
Edoxudine SCHEMBL12370767 0.89 TK1 (0.84) TK1TK2LMNASMN1; SMN2
Edoxudine SCHEMBL65580 0.89 TK1 (0.84) TK1TK2LMNASMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997006178-A1 PYRIMIDINE NUCLEOSIDES F. HOFFMANN-LA ROCHE AG (CH) 1997-02-20 WO disclosed
US-5010060-A Method of treating herpes simplex viral infection employing pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 1991-04-23 US disclosed
US-4956346-A URIDINE DERIVATIVES AS VIRICIDES HOFFMANN-LA ROCHE INC. (US) 1990-09-11 US disclosed
US-4886785-A VIRICIDES, HERPES SIMPLEX HOFFMANN-LA ROCHE INC. (US) 1989-12-12 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