SCHEMBL9634307

SCHEMBL9634307

C#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n(C(=O)c2ccc(C)cc2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TK2 O00142 1/20 0.42
TYMS P04818 1/20 0.41
ALOX12 P18054 1/20 0.40
ADRA1A P35348 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL6901491 0.90 TK1 (0.43) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL21563929 0.88 TK1 (0.43) TK1LMNASMN1; SMN2TK2TYMS
SCHEMBL6906785 0.81 ADK (0.41) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL9443821 0.80 RNASE1 (0.48) TK1LMNASMN1; SMN2TK2CYP1A2
SCHEMBL21563855 0.80 RNASE1 (0.48) TK1LMNASMN1; SMN2TK2CYP1A2
SCHEMBL537189 0.80 RNASE1 (0.48) TK1LMNASMN1; SMN2TK2CYP1A2
SCHEMBL9470943 0.76 LMNA (0.53) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL4728022 0.76 TK1 (0.53) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL9470932 0.76 LMNA (0.53) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL11144505 0.76 LMNA (0.48) TK1LMNASMN1; SMN2TK2ALOX12

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-0486477-A2 1-( -D-Arabinofuranosyl)-5-propynyluracil as a VZV-antiviral compound THE WELLCOME FOUNDATION LIMITED (GB) 1992-05-20 EP disclosed
US-5079235-A 5-Substituted Pyrimidine Nucleosides BURROUGHS WELLCOME CO. (US) 1992-01-07 US disclosed
EP-0417560-A1 Antiviral compounds THE WELLCOME FOUNDATION LIMITED (GB) 1991-03-20 EP disclosed
EP-0272065-A2 Antiviral compounds THE WELLCOME FOUNDATION LIMITED (GB) 1988-06-22 EP disclosed