SCHEMBL10566786

SCHEMBL10566786

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ TNFSF11 O14788 2/20 0.33
▸ GAA P10253 1/20 0.32
▸ VCAM1 P19320 2/20 0.32
▸ THRB P10828 1/20 0.32
▸ STAT3 P40763 1/20 0.32

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
SCHEMBL10738160 0.90 MEN1 (0.42) KMT2AMEN1TDP1HTTL3MBTL1
Oxalic Acid SCHEMBL10566788 0.87 KMT2A (0.44) KMT2AMEN1TDP1HTTL3MBTL1
SCHEMBL10737106 0.86 KMT2A (0.44) KMT2AMEN1TDP1HTTL3MBTL1
SCHEMBL9811297 0.81 KMT2A (0.47) KMT2AMEN1TDP1HTTL3MBTL1
SCHEMBL9811381 0.81 KMT2A (0.46) KMT2AMEN1TDP1HTTL3MBTL1
SCHEMBL10572923 0.79 KMT2A (0.45) KMT2AMEN1TDP1HTTL3MBTL1
Oxalic Acid SCHEMBL10738176 0.77 MEN1 (0.44) KMT2AMEN1TDP1L3MBTL1KDM4E
SCHEMBL9811367 0.77 KDM4E (0.40) KMT2AMEN1TDP1KDM4EMAPT
SCHEMBL10734675 0.74 SIGMAR1 (0.49) KMT2AMEN1TDP1HTTKDM4E
Oxalic Acid SCHEMBL9811373 0.74 KDM4E (0.40) KMT2AMEN1TDP1KDM4EMAPT

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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