SCHEMBL9851787

SCHEMBL9851787

OC[C@@H]1CC(OCc2ccccc2)[C@H](n2cnc3c(O)ncnc32)O1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.51
ADORA1 P30542 3/20 0.51
SLC29A1 Q99808 3/20 0.50
AHCY P23526 2/20 0.44
ADORA3 P0DMS8 2/20 0.43
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
STAT6 P42226 1/20 0.43

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
SCHEMBL9851770 1.00 ADORA2A (0.51) ADORA2AADORA1SLC29A1AHCYADORA3
SCHEMBL9851786 0.91 ADORA2A (0.46) ADORA2AADORA1SLC29A1AHCYADORA3
SCHEMBL9851839 0.82 SLC29A1 (0.42) ADORA2AADORA1SLC29A1ADORA3STAT6
SCHEMBL9851842 0.82 SLC29A1 (0.42) ADORA2AADORA1SLC29A1ADORA3STAT6
SCHEMBL9851733 0.81 SLC29A1 (0.41) ADORA2AADORA1SLC29A1ADORA3TP53
SCHEMBL9851739 0.81 SLC29A1 (0.41) ADORA2AADORA1SLC29A1ADORA3TP53
SCHEMBL9851872 0.80 GAA (0.43) ADORA2ASLC29A1AHCY
SCHEMBL9851878 0.80 GAA (0.43) ADORA2ASLC29A1AHCY
SCHEMBL9851716 0.79 SLC29A1 (0.48) ADORA2AADORA1SLC29A1AHCYADORA3
SCHEMBL9851725 0.79 SLC29A1 (0.48) ADORA2AADORA1SLC29A1AHCYADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0450102-A1 NUCLEOSIDE DERIVATIVE Yamasa Shoyu Kabushiki Kaisha (JP) 1991-10-09 EP disclosed