SCHEMBL7040477

SCHEMBL7040477

O=C(COc1ccccc1)Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)O1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 6/20 0.57
P2RY12 Q9H244 1/20 0.42
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL7896308 0.90 SLC29A1 (0.57) SLC29A1P2RY12
SCHEMBL8380398 0.89 SLC29A1 (0.49) SLC29A1P2RY12ADORA3
SCHEMBL7898211 0.85 SLC29A1 (0.43) SLC29A1
SCHEMBL7896185 0.85 SLC29A1 (0.53) SLC29A1P2RY12ADORA3
SCHEMBL9446435 0.83 SLC29A1 (0.57) SLC29A1ADORA3
SCHEMBL7035979 0.83 SLC29A1 (0.57) SLC29A1ADORA3
SCHEMBL7898234 0.82 SLC29A1 (0.55) SLC29A1ADORA3
SCHEMBL8714855 0.82 ENPP1 (0.57) SLC29A1ADORA3
SCHEMBL9650579 0.82 P2RY12 (0.50) SLC29A1P2RY12ADORA3
SCHEMBL9651474 0.82 P2RY12 (0.50) SLC29A1P2RY12ADORA3

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-B1 NUCLEOSIDE DERIVATIVES, AND THEIR USE IN OLIGONUCLEOTIDE SYNTHESIS CIS BIO INT (FR) 2003-03-19 EP disclosed
US-6187914-B1 SOLID PHASE SYNTHESIS OF OLIGONUCLEOTIDES USING ELECTROCHEMICALLY LABILE PROTECTING GROUPS WHICH CAN BE REMOVED BY CREATING POTENTIAL DIFFERENCE BETWEEN WORKING ELECTRODE AND COUNTERELECTRODE CIS BIO INTERNATIONAL (FR) 2001-02-13 US disclosed