SCHEMBL6839765

SCHEMBL6839765

[O]C[C@H]1O[C@@H](n2cc(I)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PYGM P11217 3/20 0.82
P2RY6 Q15077 4/20 0.66
P2RY14 Q15391 3/20 0.66
TK2 O00142 2/20 0.57
TK1 P04183 1/20 0.54
DNPH1 O43598 1/20 0.51
TSHR P16473 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
PMP22 Q01453 1/20 0.49
HBB P68871 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SLC28A1 O00337 1/20 0.49
SLC28A2 O43868 1/20 0.49
SLC29A1 Q99808 1/20 0.49
SLC28A3 Q9HAS3 1/20 0.49

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
SCHEMBL2056544 0.92 PYGM (0.97) PYGMP2RY6P2RY14TK2TK1
SCHEMBL2579194 0.92 PYGM (0.97) PYGMP2RY6P2RY14TK2TK1
SCHEMBL97336 0.92 PYGM (0.97) PYGMP2RY6P2RY14TK2TK1
SCHEMBL12315567 0.92 PYGM (0.97) PYGMP2RY6P2RY14TK2TK1
SCHEMBL97335 0.92 PYGM (0.97) PYGMP2RY6P2RY14TK2TK1
SCHEMBL3389861 0.92 PYGM (0.97) PYGMP2RY6P2RY14TK2TK1
SCHEMBL2056540 0.92 PYGM (0.97) PYGMP2RY6P2RY14TK2TK1
SCHEMBL654674 0.92 PYGM (0.97) PYGMP2RY6P2RY14TK2TK1
SCHEMBL3412420 0.92 PYGM (0.97) PYGMP2RY6P2RY14TK2TK1
SCHEMBL5165189 0.92 PYGM (0.97) PYGMP2RY6P2RY14TK2TK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6756496-B1 SUCH AS TRIETHYLAMMONIUM-5'-DIMETHOXYTRITYL-3'-THYMIDINE-HYDROGEN PHOSPHONONDITHIOATE FOR USE AS ANTIVIRAL AND ANTICANCER AGENTS ISIS PHARMACEUTICALS, INC. 2004-06-29 US claimed
US-6030996-A INHIBITORS OF UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE NECESSARY FOR THE BIOSYNTHESIS OF BACTERIAL CELL WALLS; ANTIBIOTIC RESISTANT-BACTERIA MERCH & CO., INC. (US) 2000-02-29 US claimed
WO-1998043651-A1 MUR D INHIBITING COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 1998-10-08 WO claimed
US-5565555-A Nucleoside hydrogen phosphonodithioate diesters and activated phosphonodithioate analogues GILEAD SCIENCES, INC. (US) 1996-10-15 US claimed
US-5194599-A Forming linkages with nuclosides and nucleotides; viricides, anticarcinogenic agents GILEAD SCIENCES, INC. (US) 1993-03-16 US claimed
EP-0360609-A2 Novel hydrogen phosphonodithioate compositions GILEAD SCIENCES, INC. (US) 1990-03-28 EP claimed
US-6030996-A INHIBITORS OF UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE NECESSARY FOR THE BIOSYNTHESIS OF BACTERIAL CELL WALLS; ANTIBIOTIC RESISTANT-BACTERIA MERCH & CO., INC. (US) 2000-02-29 US disclosed
US-6030996-A INHIBITORS OF UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE NECESSARY FOR THE BIOSYNTHESIS OF BACTERIAL CELL WALLS; ANTIBIOTIC RESISTANT-BACTERIA MERCH & CO., INC. (US) 2000-02-29 US disclosed
WO-1998043651-A1 MUR D INHIBITING COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 1998-10-08 WO disclosed
WO-1998043651-A1 MUR D INHIBITING COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 1998-10-08 WO disclosed