SCHEMBL6528897

SCHEMBL6528897

O=c1[nH]c(=O)n([C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1/C=C/I

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TK2 O00142 7/20 0.83
PYGM P11217 3/20 0.67
P2RY2 P41231 1/20 0.54
SLC28A1 O00337 1/20 0.54
SLC28A2 O43868 1/20 0.54
SLC29A1 Q99808 1/20 0.54
SLC28A3 Q9HAS3 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
TK1 P04183 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL5175300 1.00 TK2 (0.83) TK2PYGMP2RY2SLC28A1SLC28A2
SCHEMBL2587710 1.00 TK2 (0.83) TK2PYGMP2RY2SLC28A1SLC28A2
SCHEMBL1628082 1.00 TK2 (0.83) TK2PYGMP2RY2SLC28A1SLC28A2
SCHEMBL2587708 1.00 TK2 (0.83) TK2PYGMP2RY2SLC28A1SLC28A2
SCHEMBL1628084 1.00 TK2 (0.83) TK2PYGMP2RY2SLC28A1SLC28A2
SCHEMBL2585320 0.91 TK2 (0.69) TK2PYGMP2RY2SLC28A1SLC28A2
SCHEMBL2577938 0.91 TK2 (0.69) TK2PYGMCYP1A2CYP3A4TSHR
SCHEMBL2577941 0.91 TK2 (0.69) TK2PYGMCYP1A2CYP3A4TSHR
SCHEMBL2577942 0.91 TK2 (0.69) TK2PYGMCYP1A2CYP3A4TSHR
SCHEMBL2585319 0.91 TK2 (0.69) TK2PYGMP2RY2SLC28A1SLC28A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194174-B1 EXTENDING THE LIFETIME OF ANTICOAGULANT OLIGODEOXYNUCLEOTIDE APTAMERS IN BLOOD UNIV ALBERTA SIMON FRASER UNI (CA) 2005-09-21 EP disclosed
US-6780850-B1 INHIBITING DEGRADATION OF A NUCLEIC ACID IN THE BLOOD COMPRISING ATTACHING STREPTAVIDIN OR A VARIANT THEREOF THAT RETAINS BIOTIN BINDING ACTIVITY TO SAID NUCLEIC ACID TRIUMF (CA) 2004-08-24 US disclosed