Aurintricarboxylic Acid

Aurintricarboxylic Acid

SCHEMBL30831678

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

nearest known ligand 0.97

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.97
KMT2A Q03164 4/20 0.97
C9 P02748 3/20 0.97
CYP2C9 P11712 3/20 0.97
CYP2C19 P33261 3/20 0.97
HIF1A Q16665 3/20 0.97
CYP1A2 P05177 2/20 0.97
CYP2D6 P10635 2/20 0.97
APEX1 P27695 2/20 0.97
CTH P32929 2/20 0.97
KDM4E B2RXH2 2/20 0.97
ALDH1A1 P00352 2/20 0.97
HSPD1 P10809 2/20 0.97
THRB P10828 2/20 0.97
HPGD P15428 2/20 0.97
ALOX15 P16050 2/20 0.97
BRCA1 P38398 2/20 0.97
RECQL P46063 2/20 0.97
HSPE1 P61604 2/20 0.97
HSD17B10 Q99714 2/20 0.97

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
Aurintricarboxylic Acid SCHEMBL4644958 1.00 MEN1 (0.97) MEN1KMT2AC9CYP2C9CYP2C19
Aurintricarboxylic Acid SCHEMBL29395768 1.00 MEN1 (0.97) MEN1KMT2AC9CYP2C9CYP2C19
Aurintricarboxylic Acid SCHEMBL10791075 1.00 MEN1 (0.97) MEN1KMT2AC9CYP2C9CYP2C19
Aurintricarboxylic Acid SCHEMBL515038 1.00 MEN1 (0.97) MEN1KMT2AC9CYP2C9CYP2C19
Aurintricarboxylic Acid SCHEMBL29450069 0.99 MEN1 (1.00) MEN1KMT2AC9CYP2C9CYP2C19
Aurintricarboxylic Acid SCHEMBL98495 0.99 MEN1 (1.00) MEN1KMT2AC9CYP2C9CYP2C19
Aurintricarboxylic Acid SCHEMBL29353681 0.99 MEN1 (1.00) MEN1KMT2AC9CYP2C9CYP2C19
Aurintricarboxylic Acid SCHEMBL6158321 0.97 MEN1 (0.97) MEN1KMT2AC9CYP2C9CYP2C19
Aurintricarboxylic Acid SCHEMBL15874321 0.97 MEN1 (0.97) MEN1KMT2AC9CYP2C9CYP2C19
Aurintricarboxylic Acid SCHEMBL6847597 0.96 MEN1 (0.95) MEN1KMT2AC9CYP2C9CYP2C19

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
CN-117736087-B Preparation method of triammonium rhodotricarboxylic acid 天津市科密欧化学试剂有限公司 2024-05-03 CN disclosed
CN-117736087-A Preparation method of triammonium rhodotricarboxylic acid 天津市科密欧化学试剂有限公司 2024-03-22 CN disclosed