SCHEMBL9780562

SCHEMBL9780562

CCCc1cn([C@H]2C[C@H](O)[C@@H](CN)O2)c(=O)[nH]c1=O

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.81
TK2 O00142 1/20 0.81
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALOX12 P18054 1/20 0.51
ADRA1A P35348 1/20 0.51

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
SCHEMBL9780573 1.00 TK1 (0.81) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL8813666 0.92 TK1 (0.68) TK1TK2LMNASMN1; SMN2
SCHEMBL8813675 0.92 TK1 (0.68) TK1TK2LMNASMN1; SMN2
SCHEMBL2396529 0.90 TK1 (1.00) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL5982016 0.90 TK1 (1.00) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL5982019 0.90 TK1 (1.00) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL13273340 0.90 TK1 (1.00) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL2396532 0.90 TK1 (1.00) TK1TK2LMNASMN1; SMN2ALOX12
Hydrochloric Acid SCHEMBL9780518 0.89 TK1 (0.64) TK1TK2LMNASMN1; SMN2ALOX12
Hydrochloric Acid SCHEMBL9780524 0.89 TK1 (0.64) TK1TK2LMNASMN1; SMN2ALOX12

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