SCHEMBL6886914

SCHEMBL6886914

CS(=O)(=O)O[C@@H]1[C@@H](O)[C@H](Nc2nc(=O)[nH]cc2Cc2ccccc2)O[C@@H]1CO

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 15/20 0.38
SLC5A1 P13866 8/20 0.35
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
GSK3B P49841 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LGALS8 O00214 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
SCHEMBL6887384 0.88 GSK3B (0.36) SLC5A2GSK3B
SCHEMBL6887758 0.86 GSK3B (0.34) GSK3B
SCHEMBL6887576 0.85 GSK3B (0.34) SLC5A2SLC5A1GSK3BKMT2A
SCHEMBL6886429 0.84 GSK3B (0.33) GSK3B
SCHEMBL6884989 0.83 GSK3B (0.36) GSK3B
SCHEMBL6885088 0.83 GSK3B (0.36) GSK3B
SCHEMBL6887568 0.82 SLC5A2 (0.39) SLC5A2SLC5A1ADORA2AADORA1GSK3B
SCHEMBL6885551 0.82 GSK3B (0.36) GSK3B
SCHEMBL6884015 0.81 GSK3B (0.35) GSK3B
SCHEMBL6887257 0.80 GSK3B (0.33) GSK3B

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
EP-1411954-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION Pharmasset Limited (BB) 2004-04-28 EP disclosed
WO-2002032920-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION PHARMASSET LIMITED (BB) 2002-04-25 WO disclosed