SCHEMBL9689115

SCHEMBL9689115

COC1[C@@]2(O)[C@@H](COCc3ccccc3)O[C@@H](n3cnc4c(O)ncnc43)[C@@]12O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.42
ADORA2A P29274 5/20 0.40
SLC29A1 Q99808 1/20 0.39
P2RY12 Q9H244 3/20 0.38
HSPA5 P11021 1/20 0.38
AHCY P23526 2/20 0.37
PDE2A O00408 1/20 0.35

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
SCHEMBL9689744 0.87 ADORA3 (0.59) ADORA3ADORA2ASLC29A1
SCHEMBL9689114 0.81 ADORA2A (0.36) ADORA3ADORA2A
SCHEMBL9689709 0.78 ABCB1 (0.38) ADORA3ADORA2ASLC29A1
SCHEMBL9687934 0.74 SLC29A1 (0.43) ADORA3ADORA2ASLC29A1P2RY12HSPA5
SCHEMBL1140717 0.73 SLC29A1 (0.64) ADORA3ADORA2ASLC29A1HSPA5AHCY
SCHEMBL9688741 0.73 ADORA2A (0.40) ADORA3ADORA2AAHCY
SCHEMBL9851725 0.72 SLC29A1 (0.48) ADORA3ADORA2ASLC29A1AHCYPDE2A
SCHEMBL9851716 0.72 SLC29A1 (0.48) ADORA3ADORA2ASLC29A1AHCYPDE2A
SCHEMBL15271121 0.72 ADORA2A (0.59) ADORA3ADORA2ASLC29A1AHCY
SCHEMBL9851786 0.71 ADORA2A (0.46) ADORA3ADORA2ASLC29A1P2RY12AHCY

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-0493602-A1 PROCESS FOR PRODUCING 2',3'-DIDEOXY-2',3'-DIDEHYDRONUCLEOSIDE YUKI GOSEI KOGYO CO., LTD. (JP) 1992-07-08 EP disclosed