SCHEMBL6884015

SCHEMBL6884015

CS(=O)(=O)O[C@@H]1[C@@H](O)[C@H](Nc2nc(=O)[nH]cc2C(N)=O)O[C@@H]1CO

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.35
CA1 P00915 12/20 0.33
CA2 P00918 12/20 0.33
ADK P55263 1/20 0.32
TSHR P16473 1/20 0.31
CA9 Q16790 6/20 0.31
CA12 O43570 5/20 0.31
CA14 Q9ULX7 2/20 0.30

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
SCHEMBL6888000 0.89 MEN1 (0.35) GSK3B
SCHEMBL6885088 0.87 GSK3B (0.36) GSK3BCA1CA2ADKTSHR
SCHEMBL6884989 0.87 GSK3B (0.36) GSK3BCA1CA2ADKTSHR
SCHEMBL6885551 0.86 GSK3B (0.36) GSK3BCA1CA2ADKTSHR
SCHEMBL6887384 0.86 GSK3B (0.36) GSK3BCA1CA2ADKTSHR
SCHEMBL6887507 0.85 GSK3B (0.44) GSK3BCA1CA2ADKTSHR
SCHEMBL6884779 0.84 GSK3B (0.33) GSK3BTSHR
SCHEMBL6887576 0.84 GSK3B (0.34) GSK3BCA1CA2
SCHEMBL6882294 0.84 GSK3B (0.34) GSK3BCA1CA2
SCHEMBL6886842 0.83 HDAC1 (0.35) 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