Aurintricarboxylic Acid

Aurintricarboxylic Acid

SCHEMBL7931573

O=C(O)C1=CC(=C(c2ccc(O)c(C(=O)O)c2)c2ccc(O)c(C(=O)O)c2)C=CC1=O.O=C1C=CC(=C(c2ccc(O)cc2)c2ccc(O)cc2)C=C1

nearest known ligand 0.81

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.81
MEN1 O00255 4/20 0.81
KMT2A Q03164 4/20 0.81
C9 P02748 3/20 0.81
KDM4E B2RXH2 3/20 0.81
HPGD P15428 3/20 0.81
ALOX15 P16050 3/20 0.81
CYP2C9 P11712 3/20 0.81
CYP2C19 P33261 3/20 0.81
HIF1A Q16665 3/20 0.81
POLB P06746 3/20 0.81
L3MBTL1 Q9Y468 3/20 0.81
MAPT P10636 2/20 0.81
CYP1A2 P05177 2/20 0.81
CYP2D6 P10635 2/20 0.81
APEX1 P27695 2/20 0.81
CTH P32929 2/20 0.81
ALDH1A1 P00352 2/20 0.81
HSPD1 P10809 2/20 0.81
THRB P10828 2/20 0.81

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
SCHEMBL7931576 0.91 MAPT (0.67) TDP1MEN1KMT2AC9KDM4E
Aurintricarboxylic Acid SCHEMBL29450069 0.90 MEN1 (1.00) TDP1MEN1KMT2AC9KDM4E
Aurintricarboxylic Acid SCHEMBL29353681 0.90 MEN1 (1.00) TDP1MEN1KMT2AC9KDM4E
Aurintricarboxylic Acid SCHEMBL98495 0.90 MEN1 (1.00) TDP1MEN1KMT2AC9KDM4E
Aurintricarboxylic Acid SCHEMBL4644958 0.89 MEN1 (0.97) TDP1MEN1KMT2AC9KDM4E
Aurintricarboxylic Acid SCHEMBL30831678 0.89 MEN1 (0.97) TDP1MEN1KMT2AC9KDM4E
Aurintricarboxylic Acid SCHEMBL6158321 0.89 MEN1 (0.97) TDP1MEN1KMT2AC9KDM4E
Aurintricarboxylic Acid SCHEMBL10791075 0.89 MEN1 (0.97) TDP1MEN1KMT2AC9KDM4E
Aurintricarboxylic Acid SCHEMBL29395768 0.89 MEN1 (0.97) TDP1MEN1KMT2AC9KDM4E
Aurintricarboxylic Acid SCHEMBL515038 0.89 MEN1 (0.97) TDP1MEN1KMT2AC9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1007068-A4 PROCESS FOR PREPARING SYNTHETIC SOIL-EXTRACT MATERIALS AND MEDICAMENTS BASED THEREON LAUB BIOCHEMICALS CORP (US) 2001-04-25 EP disclosed
EP-1007068-A1 PROCESS FOR PREPARING SYNTHETIC SOIL-EXTRACT MATERIALS AND MEDICAMENTS BASED THEREON Laub Biochemicals Corporation (US) 2000-06-14 EP disclosed
WO-1998034629-A1 PROCESS FOR PREPARING SYNTHETIC SOIL-EXTRACT MATERIALS AND MEDICAMENTS BASED THEREON LAUB BIOCHEMICALS CORPORATION (US) 1998-08-13 WO disclosed