SCHEMBL11959629

SCHEMBL11959629

O=c1ccn([C@@H]2O[C@H](CO)[C@H](O)C2SSC(Cl)(Cl)Cl)c(=O)[nH]1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC28A1 O00337 1/20 0.67
SLC28A2 O43868 1/20 0.67
SLC29A1 Q99808 1/20 0.67
SLC28A3 Q9HAS3 1/20 0.67
P2RY2 P41231 10/20 0.48
P2RY6 Q15077 9/20 0.46
P2RY14 Q15391 6/20 0.46
P2RY4 P51582 5/20 0.46

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
SCHEMBL4301325 1.00 SLC28A1 (0.67) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL4301327 1.00 SLC28A1 (0.67) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL11980591 1.00 SLC28A1 (0.67) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL4301331 1.00 SLC28A1 (0.67) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL23813670 0.84 SLC28A1 (0.67) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL25101230 0.84 SLC28A1 (0.73) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL23813669 0.84 SLC28A1 (0.73) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL21350649 0.84 SLC28A1 (0.73) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL4452468 0.84 SLC28A1 (0.73) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL23813655 0.84 SLC28A1 (0.73) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236945-B2 Process for preparing disulfides and thiosulphinates and compounds prepared Universite Joseph Fourier (Grenoble1) (FR) 2012-08-07 US disclosed
WO-2007122333-A2 PROCESS FOR PREPARING DISULPHIDES AND THIOSULPHINATES AND COMPOUNDS PREPARED UNIVERSITE JOSEPH FOURIER (GRENOBLE 1) (FR) 2007-11-01 WO disclosed