SCHEMBL5300044

SCHEMBL5300044

O=C1c2ccc(S(=O)(=O)O)c(O)c2C(=O)c2c(O)ccc(O)c21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.67
MAPT P10636 5/20 0.67
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
HPGD P15428 4/20 0.67
ALDH1A1 P00352 4/20 0.67
MAPK1 P28482 4/20 0.67
HSD17B10 Q99714 4/20 0.67
TDP1 Q9NUW8 4/20 0.67
ALOX15 P16050 3/20 0.67
CSNK2A2 P19784 3/20 0.67
CSNK2B P67870 3/20 0.67
CSNK2A1 P68400 3/20 0.67
CSNK2A3 Q8NEV1 3/20 0.67
KDM4E B2RXH2 2/20 0.67
CYP3A4 P08684 2/20 0.67
APEX1 P27695 2/20 0.67
RECQL P46063 2/20 0.67
THRB P10828 2/20 0.67
USP2 O75604 1/20 0.67

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
SCHEMBL6905576 0.91 PGAM1 (0.53) MAOAMAPTMEN1KMT2AHPGD
SCHEMBL6901828 0.89 PGAM1 (0.51) MAOAMAPTMEN1KMT2AHPGD
SCHEMBL16950304 0.87 PGAM1 (0.50) MAOAMAPTMEN1KMT2AHPGD
SCHEMBL17038036 0.86 MAOA (0.63) MAOAMAPTMEN1KMT2AHPGD
SCHEMBL17038035 0.85 MAOA (0.65) MAOAMAPTMEN1KMT2AHPGD
SCHEMBL2870441 0.82 PGAM1 (0.68) MAOAMAPTMEN1KMT2AHPGD
SCHEMBL6852122 0.81 PGAM1 (0.71) MAOAMAPTMEN1KMT2AHPGD
SCHEMBL27939359 0.81 PGAM1 (0.66) MAOAMAPTMEN1KMT2AHPGD
SCHEMBL5306768 0.81 NQO1 (0.59) MAOAMAPTMEN1KMT2AHPGD
Quinalizarin SCHEMBL29516323 0.81 MAOA (1.00) MAOAMAPTMEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007022979-A2 MEDIATOR SYSTEMS FOR THE ELECTROCHEMICAL REDUCTION OF ORGANIC COMPOUNDS IN AN AQUEOUS SOLUTION DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2007-03-01 WO disclosed