SCHEMBL8594832

SCHEMBL8594832

Cc1ccc(O)c(/N=N/c2c(O)cc(S(=O)(=O)O)c3ccccc23)c1.[MgH2]

nearest known ligand 0.97

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 19/20 0.97
▸ NSD2 O96028 1/20 0.64
▸ MMP14 P50281 1/20 0.64
▸ CASP6 P55212 1/20 0.64
▸ CTRC Q99895 2/20 0.63

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
SCHEMBL31236789 0.99 MPL (1.00) MPLNSD2MMP14CASP6CTRC
SCHEMBL263650 0.99 MPL (1.00) MPLNSD2MMP14CASP6CTRC
SCHEMBL9271524 0.99 MPL (1.00) MPLNSD2MMP14CASP6CTRC
SCHEMBL29436759 0.99 MPL (1.00) MPLNSD2MMP14CASP6CTRC
SCHEMBL263651 0.99 MPL (1.00) MPLNSD2MMP14CASP6CTRC
Water SCHEMBL23023806 0.97 MPL (0.97) MPLNSD2MMP14CASP6CTRC
SCHEMBL18281628 0.97 MPL (0.97) MPLNSD2MMP14CASP6CTRC
Ammonia Solution, Strong SCHEMBL18281619 0.97 MPL (0.97) MPLNSD2MMP14CASP6CTRC
Ammonia Solution, Strong SCHEMBL18281621 0.97 MPL (0.97) MPLNSD2MMP14CASP6CTRC
Boric Acid SCHEMBL9271214 0.95 MPL (0.93) MPLNSD2MMP14CASP6CTRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0432642-B1 Reagent composition, methods and kits for quantification of magnesium or calcium and magnesium HOFFMANN LA ROCHE (CH) 1998-06-17 — — EP disclosed
US-5482866-A ETHYLENEDIAMINETETRAACETIC ACID (EDTA), ETHYLENE GLYCOL BIS/2-AMINOETHYLETHER/-N,N,N*,N*-TETRAACETIC ACID (EGTA) AND CHLOROPHOSPHONAZO III AS CHELATING AGENTS; MEDICAL DIAGNOSIS HOFFMANN-LA ROCHE INC. (US) 1996-01-09 — — US disclosed
US-5397710-A Fixing complexometric dye, metal mask, chelate compound alkaline buffer, and stabilizer on bibulous material covered with semipermeable membrane DAVID DIAGNOSTICS, INC. (US) 1995-03-14 — — US disclosed
EP-0432642-A1 A method for quantitation of calcium and magnesium F. HOFFMANN-LA ROCHE AG (CH) 1991-06-19 — — EP disclosed
Send feedback