SCHEMBL7615673

SCHEMBL7615673

O=c1c2ncn(C3O[C@@H](CO)[C@H](O)[C@@H]3O)c2ncn1Cc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 4/20 0.73
SLC29A1 Q99808 6/20 0.60
ADORA3 P0DMS8 4/20 0.59
TP53 P04637 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
STAT6 P42226 1/20 0.59
ADORA1 P30542 3/20 0.57
NFKB1 P19838 2/20 0.57
THPO P40225 2/20 0.57
TSHR P16473 2/20 0.57
ADORA2A P29274 2/20 0.57
LMNA P02545 2/20 0.56
ALDH1A1 P00352 1/20 0.56
GLA P06280 1/20 0.56
PMP22 Q01453 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPC1 O15118 1/20 0.56
NPY1R P25929 1/20 0.56
HTT P42858 1/20 0.56
NPY2R P49146 1/20 0.56

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
SCHEMBL5983454 1.00 TYMP (0.73) TYMPSLC29A1ADORA3TP53TDP1
SCHEMBL27732293 1.00 TYMP (0.73) TYMPSLC29A1ADORA3TP53TDP1
SCHEMBL6765381 0.88 SLC29A1 (0.62) TYMPSLC29A1ADORA3TP53TDP1
SCHEMBL21839710 0.84 TYMP (0.71) TYMP
SCHEMBL23914896 0.84 TYMP (0.71) TYMP
SCHEMBL21349010 0.83 TYMP (0.69) TYMP
SCHEMBL1533270 0.82 ADORA3 (0.62) SLC29A1ADORA3ADORA1ADORA2A
SCHEMBL6882745 0.82 ADORA3 (0.62) SLC29A1ADORA3ADORA1ADORA2A
SCHEMBL30074692 0.82 TYMP (0.56) TYMPSLC29A1ADORA3STAT6ADORA1
SCHEMBL31591198 0.79 ADORA2A (0.53) TYMPSLC29A1ADORA3TP53STAT6

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-1232166-A2 SYNTHESIS OF 2'-DEOXY-L-NUCLEOSIDES Pharmasset Limited (US) 2002-08-21 EP disclosed
WO-2001034618-A2 SYNTHESIS OF 2'-DEOXY-L-NUCLEOSIDES PHARMASSET LIMITED (US) 2001-05-17 WO disclosed