SCHEMBL28843545

SCHEMBL28843545

NCCCC[C@@]1(n2ccc(=O)[nH]c2=S)O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC28A1 O00337 1/20 0.37
SLC28A2 O43868 1/20 0.37
SLC29A1 Q99808 1/20 0.37
SLC28A3 Q9HAS3 1/20 0.37
PYGB P11216 3/20 0.33
P2RY14 Q15391 4/20 0.33
PYGL P06737 2/20 0.32
PYGM P11217 1/20 0.32
P2RY2 P41231 1/20 0.32
P2RY4 P51582 1/20 0.32

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
SCHEMBL29512365 0.89 SLC28A1 (0.43) SLC28A1SLC28A2SLC29A1SLC28A3PYGB
SCHEMBL7456571 0.88 SLC28A1 (0.42) SLC28A1SLC28A2SLC29A1SLC28A3PYGB
SCHEMBL7611046 0.88 SLC28A1 (0.40) SLC28A1SLC28A2SLC29A1SLC28A3PYGB
SCHEMBL4064968 0.86 SLC28A1 (0.44) SLC28A1SLC28A2SLC29A1SLC28A3PYGB
SCHEMBL28843518 0.83 SLC28A1 (0.35) SLC28A1SLC28A2SLC29A1SLC28A3PYGB
SCHEMBL31280115 0.81 SLC28A1 (0.39) SLC28A1SLC28A2SLC29A1SLC28A3PYGB
SCHEMBL18660236 0.81 SLC28A1 (0.45) SLC28A1SLC28A2SLC29A1SLC28A3PYGB
SCHEMBL17728070 0.81 SLC28A1 (0.38) SLC28A1SLC28A2SLC29A1SLC28A3PYGB
SCHEMBL2546576 0.78 SLC28A1 (0.43) SLC28A1SLC28A2SLC29A1SLC28A3P2RY14
SCHEMBL5964454 0.78 SLC28A1 (0.36) SLC28A1SLC28A2SLC29A1SLC28A3PYGB

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-109640962-B Polynucleotides encoding relaxin 摩登纳特斯有限公司 2022-07-19 CN disclosed