SCHEMBL28786348

SCHEMBL28786348

O=c1ccn([C@@]2(O)C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC28A1 O00337 1/20 0.45
SLC28A2 O43868 1/20 0.45
SLC29A1 Q99808 1/20 0.45
SLC28A3 Q9HAS3 1/20 0.45
P2RY6 Q15077 9/20 0.40
P2RY14 Q15391 2/20 0.36
DUT P33316 3/20 0.34
P2RY2 P41231 2/20 0.33
P2RY4 P51582 1/20 0.33

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
SCHEMBL51723 0.85 SLC28A1 (0.45) SLC28A1SLC28A2SLC29A1SLC28A3P2RY6
SCHEMBL27451524 0.84 SLC28A1 (0.44) SLC28A1SLC28A2SLC29A1SLC28A3P2RY6
SCHEMBL2242410 0.84 SLC28A1 (0.44) SLC28A1SLC28A2SLC29A1SLC28A3P2RY6
SCHEMBL2009955 0.84 SLC28A1 (0.44) SLC28A1SLC28A2SLC29A1SLC28A3P2RY6
SCHEMBL65485 0.84 SLC28A1 (0.44) SLC28A1SLC28A2SLC29A1SLC28A3P2RY6
SCHEMBL27703606 0.84 SLC28A1 (0.44) SLC28A1SLC28A2SLC29A1SLC28A3P2RY6
Hydrochloric Acid SCHEMBL27782735 0.84 SLC28A1 (0.44) SLC28A1SLC28A2SLC29A1SLC28A3P2RY6
SCHEMBL414705 0.84 SLC28A1 (0.44) SLC28A1SLC28A2SLC29A1SLC28A3P2RY6
SCHEMBL438241 0.84 SLC28A1 (0.44) SLC28A1SLC28A2SLC29A1SLC28A3P2RY6
SCHEMBL249822 0.84 SLC28A1 (0.44) SLC28A1SLC28A2SLC29A1SLC28A3P2RY6

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
CN-114728036-A Novel therapeutic uses 阿提奥斯医药有限公司 2022-07-08 CN disclosed