SCHEMBL9851786

SCHEMBL9851786

Oc1ncnc2c1ncn2[C@@H]1O[C@H](COCc2ccccc2)C[C@H]1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.46
ADORA1 P30542 4/20 0.46
SLC29A1 Q99808 1/20 0.45
AHCY P23526 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
PDE2A O00408 2/20 0.42
DOT1L Q8TEK3 1/20 0.39
P2RY12 Q9H244 1/20 0.39

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 0.91 ADORA2A (0.51) ADORA2AADORA1SLC29A1AHCYADORA3
SCHEMBL9851787 0.91 ADORA2A (0.51) ADORA2AADORA1SLC29A1AHCYADORA3
SCHEMBL9851716 0.88 SLC29A1 (0.48) ADORA2AADORA1SLC29A1AHCYADORA3
SCHEMBL9851725 0.88 SLC29A1 (0.48) ADORA2AADORA1SLC29A1AHCYADORA3
SCHEMBL9851892 0.87 SLC29A1 (0.41) ADORA2AADORA1SLC29A1AHCYADORA3
SCHEMBL9851893 0.87 SLC29A1 (0.41) ADORA2AADORA1SLC29A1AHCYADORA3
SCHEMBL9851780 0.80 PDE2A (0.47) SLC29A1PDE2A
SCHEMBL9851769 0.80 PDE2A (0.47) SLC29A1PDE2A
SCHEMBL1140717 0.79 SLC29A1 (0.64) ADORA2AADORA1SLC29A1AHCYADORA3
SCHEMBL11402107 0.78 AHCY (0.58) ADORA1AHCYPDE2ADOT1LP2RY12

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