SCHEMBL9545108

SCHEMBL9545108

CCc1cn(C2(F)O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TK2 O00142 3/20 0.40
TK1 P04183 1/20 0.40
PYGM P11217 3/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALOX12 P18054 1/20 0.34
ADRA1A P35348 1/20 0.34

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
SCHEMBL16042097 0.86 TK1 (0.42) TK2TK1LMNAADRA1A
SCHEMBL1740177 0.85 LMNA (0.47) TK2PYGMLMNASMN1; SMN2ALOX12
SCHEMBL5614068 0.84 PYGM (0.50) TK2TK1PYGMLMNASMN1; SMN2
SCHEMBL27271553 0.83 TK2 (0.40) TK2TK1PYGMLMNASMN1; SMN2
SCHEMBL22616910 0.81 LMNA (0.37) TK2TK1PYGMLMNASMN1; SMN2
SCHEMBL3978670 0.80 PYGM (0.37) TK2TK1PYGMLMNASMN1; SMN2
SCHEMBL8951912 0.77 TK1 (0.33) TK2TK1PYGMLMNASMN1; SMN2
SCHEMBL5201948 0.77 TK1 (0.41) TK2TK1LMNAADRA1A
SCHEMBL8951921 0.77 RNASE1 (0.36) TK2PYGMLMNASMN1; SMN2
SCHEMBL27271548 0.77 TK2 (0.36) TK2TK1PYGMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993017651-A2 ANTIVIRAL NUCLEOSIDE ANALOGUES, THEIR PRODUCTION AND USE Max-Delbrück-Centrum für Molekulare Medizin (DE) 1993-09-16 WO disclosed