SCHEMBL9780661

SCHEMBL9780661

CC(=O)c1cn([C@@H]2CC(O)[C@H](CO)O2)c(=O)[nH]c1=O

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.69
LMNA P02545 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
TK2 O00142 1/20 0.67
ALOX12 P18054 1/20 0.65
ADRA1A P35348 1/20 0.65
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
TSHR P16473 1/20 0.62
BLM P54132 1/20 0.62
PMP22 Q01453 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62

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
SCHEMBL9780646 1.00 TK1 (0.69) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL9227548 0.89 TK1 (0.67) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL9465344 0.89 TK1 (0.67) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL9227555 0.89 TK1 (0.67) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL5982148 0.89 TK1 (0.67) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL21158663 0.89 TK1 (0.70) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL21113982 0.89 TK1 (0.70) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL22607139 0.89 TK1 (0.70) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL21114095 0.89 TK1 (0.70) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL5981723 0.89 TK1 (0.70) 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 3 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 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-4851519-A AMIDO NUCLEOSIDES, VIRICIDES HOFFMANN-LA ROCHE INC. (US) 1989-07-25 US disclosed