SCHEMBL8380398

SCHEMBL8380398

O=C(COc1ccccc1)Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COC(=O)c2ccccc2[N+](=O)[O-])O1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.49
P2RY12 Q9H244 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
P2RY1 P47900 2/20 0.41
ENPP1 P22413 1/20 0.41
P2RY2 P41231 1/20 0.41
P2RY6 Q15077 1/20 0.41
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
TYMP P19971 1/20 0.40

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
SCHEMBL7040477 0.89 SLC29A1 (0.57) SLC29A1P2RY12ADORA3
SCHEMBL6892237 0.86 SLC29A1 (0.45) SLC29A1P2RY12ADORA3P2RY1ENPP1
SCHEMBL7035979 0.83 SLC29A1 (0.57) SLC29A1ADORA3ADORA1
SCHEMBL9446435 0.83 SLC29A1 (0.57) SLC29A1ADORA3ADORA1
SCHEMBL6834210 0.81 SLC29A1 (0.43) SLC29A1P2RY12ADORA3P2RY1ENPP1
SCHEMBL6830892 0.81 SLC29A1 (0.43) SLC29A1P2RY12ADORA3P2RY1ENPP1
SCHEMBL6835937 0.81 SLC29A1 (0.43) SLC29A1P2RY12ADORA3P2RY1ENPP1
SCHEMBL6906921 0.80 SLC29A1 (0.57) SLC29A1
SCHEMBL7896308 0.79 SLC29A1 (0.57) SLC29A1P2RY12P2RY1ENPP1
SCHEMBL9650579 0.77 P2RY12 (0.50) SLC29A1P2RY12ADORA3P2RY1P2RY2

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-0902788-A1 NUCLEOSIDE DERIVATIVES, AND THEIR USE IN OLIGONUCLEOTIDE SYNTHESIS CIS BIO INTERNATIONAL (FR) 1999-03-24 EP disclosed
WO-1997042207-A1 NUCLEOSIDE DERIVATIVES, AND THEIR USE IN OLIGONUCLEOTIDE SYNTHESIS CIS BIO INTERNATIONAL (FR) 1997-11-13 WO disclosed