Oxalic Acid

Oxalic Acid

SCHEMBL10566788

CN(CCO)CCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C(=O)N(C)C.O=C(O)C(=O)O

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1SLC6A4

The experimentally established mechanism targets of Oxalic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ HTT P42858 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TNFSF11 O14788 2/20 0.35
▸ VCAM1 P19320 3/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ THRB P10828 1/20 0.33

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
SCHEMBL10737106 0.97 KMT2A (0.44) KMT2AMEN1HTTTDP1L3MBTL1
SCHEMBL9811297 0.90 KMT2A (0.47) KMT2AMEN1HTTTDP1L3MBTL1
Oxalic Acid SCHEMBL10738176 0.90 MEN1 (0.44) KMT2AMEN1TDP1L3MBTL1ALDH1A1
SCHEMBL10566786 0.87 KMT2A (0.42) KMT2AMEN1HTTTDP1L3MBTL1
SCHEMBL10572923 0.86 KMT2A (0.45) KMT2AMEN1HTTTDP1L3MBTL1
SCHEMBL10650928 0.82 KMT2A (0.51) KMT2AMEN1TDP1L3MBTL1ALDH1A1
SCHEMBL10650939 0.82 KMT2A (0.51) KMT2AMEN1TDP1L3MBTL1ALDH1A1
SCHEMBL10738172 0.80 MEN1 (0.43) KMT2AMEN1HTTTDP1L3MBTL1
SCHEMBL10652079 0.80 VCAM1 (0.40) KMT2AMEN1HTTTDP1L3MBTL1
SCHEMBL10733789 0.80 VCAM1 (0.43) KMT2AMEN1HTTTDP1L3MBTL1

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
US-4847294-A Derivatives of 2-(substituted sulfamyl)-6-nitrobenzoic acids, useful as adjuncts to radiation therapy MERCK & CO., INC. (US) 1989-07-11 — — US disclosed
EP-0265806-A1 2-(Substituted sulfamyl)-6-nitrobenzoic acids, amides and esters thereof useful as adjuncts to radiation therapy MERCK & CO. INC. (US) 1988-05-04 — — EP disclosed
US-4694020-A Derivatives of 2-(substituted sulfamyl)-6-nitrobenzoic acids and pharmaceutical compositions MERCK & CO., INC. (US) 1987-09-15 — — US disclosed
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