SCHEMBL9328871

SCHEMBL9328871

O=S(=O)([O-])c1cc(O)c(O)c(S(=O)(=O)[O-])c1.[Fe+2]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP5 Q16690 4/20 0.59
PTPN1 P18031 5/20 0.53
DUSP6 Q16828 1/20 0.47
PTGS1 P23219 1/20 0.42
PKLR P30613 5/20 0.42
PGAM1 P18669 2/20 0.39
APP P05067 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
PRMT1 Q99873 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
GRK2 P25098 1/20 0.37
KMT2A Q03164 1/20 0.37
PLEC Q15149 1/20 0.37
PLCG1 P19174 1/20 0.36
SERPINE1 P05121 1/20 0.35

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
Tiron SCHEMBL29385574 0.96 DUSP5 (0.65) DUSP5PTPN1DUSP6PTGS1PKLR
Potassium Ion SCHEMBL3222667 0.96 DUSP5 (0.59) DUSP5PTPN1DUSP6PTGS1PKLR
SCHEMBL5310574 0.96 DUSP5 (0.65) DUSP5PTPN1DUSP6PTGS1PKLR
SCHEMBL8717950 0.96 DUSP5 (0.59) DUSP5PTPN1DUSP6PTGS1PKLR
Tiron SCHEMBL22220 0.96 DUSP5 (0.65) DUSP5PTPN1DUSP6PTGS1PKLR
SCHEMBL31393 0.96 DUSP5 (0.59) DUSP5PTPN1DUSP6PTGS1PKLR
Ammonia Solution, Strong SCHEMBL9751555 0.94 DUSP5 (0.62) DUSP5PTPN1DUSP6PTGS1PKLR
Water SCHEMBL5097417 0.94 DUSP5 (0.62) DUSP5PTPN1DUSP6PTGS1PKLR
Water SCHEMBL29379961 0.94 DUSP5 (0.62) DUSP5PTPN1DUSP6PTGS1PKLR
Water SCHEMBL3205313 0.94 DUSP5 (0.62) DUSP5PTPN1DUSP6PTGS1PKLR

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-5320969-A Measuring the change in color when complexing a metal compound and colored indicator in a buffered solution of biological sample, e.g. urine MILES INC. (US) 1994-06-14 US disclosed
US-5302531-A Mixture of complexing agent, metal compound and indicator MILES INC. (US) 1994-04-12 US disclosed