SCHEMBL10738172

SCHEMBL10738172

CN(CCO)CCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1NC(=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.36
▸ LMNA P02545 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ CA1 P00915 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ THRB P10828 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ HTT P42858 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ GSTO1 P78417 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
Oxalic Acid SCHEMBL10738176 0.80 MEN1 (0.44) MEN1KMT2AALDH1A1KDM4EL3MBTL1
Oxalic Acid SCHEMBL10566788 0.80 KMT2A (0.44) MEN1KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL10737106 0.79 KMT2A (0.44) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL12619921 0.75 KMT2A (0.68) MEN1KMT2AALDH1A1GAACA1
SCHEMBL10650928 0.74 KMT2A (0.51) MEN1KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL10650939 0.74 KMT2A (0.51) MEN1KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL12188688 0.73 KMT2A (0.66) MEN1KMT2AALDH1A1KDM4ECA1
SCHEMBL10566821 0.72 KMT2A (0.45) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL9811297 0.71 KMT2A (0.47) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL10651980 0.71 KMT2A (0.47) MEN1KMT2AALDH1A1KDM4EL3MBTL1

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
US-4647588-A 2-(substituted sulfamyl)-6-nitrobenzoic acid amides and pharmaceutical compositions MERCK & CO., INC. (US) 1987-03-03 — — US disclosed
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