SCHEMBL6896046

SCHEMBL6896046

CC(COC(=O)O[C@H]1C[C@H](n2cnc3c(NC(=O)COc4ccc(C(C)(C)C)cc4)ncnc32)O[C@@H]1CO)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 6/20 0.41
ADORA1 P30542 6/20 0.40
ADORA3 P0DMS8 4/20 0.40
ADORA2B P29275 4/20 0.40
ADORA2A P29274 1/20 0.35
DOT1L Q8TEK3 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
SCHEMBL6895269 0.88 KDM4E (0.46) SLC29A1ADORA1ADORA3ADORA2B
SCHEMBL6891890 0.85 POLB (0.48)
SCHEMBL6892237 0.83 SLC29A1 (0.45) SLC29A1ADORA1ADORA3ADORA2B
SCHEMBL4627842 0.77 TYMP (0.43) SLC29A1ADORA3
SCHEMBL6835937 0.76 SLC29A1 (0.43) SLC29A1ADORA1ADORA3ADORA2B
SCHEMBL6830892 0.76 SLC29A1 (0.43) SLC29A1ADORA1ADORA3ADORA2B
SCHEMBL6834210 0.76 SLC29A1 (0.43) SLC29A1ADORA1ADORA3ADORA2B
SCHEMBL7047161 0.76 POLB (0.39)
SCHEMBL9446435 0.71 SLC29A1 (0.57) SLC29A1ADORA1ADORA3
SCHEMBL7035979 0.71 SLC29A1 (0.57) SLC29A1ADORA1ADORA3

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-1212338-B1 Nucleoside derivatives with photolabile protective groups DEUTSCHES KREBSFORSCH (DE) 2012-11-21 EP disclosed
US-6756492-B1 Nucleoside derivatives with photo-unstable protective groups DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUND DES OFFENTLICHEN RECHTS (DE) 2004-06-29 US disclosed