SCHEMBL10654834

SCHEMBL10654834

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ F2 P00734 3/20 0.37
▸ PRSS1 P07477 3/20 0.37
▸ PRSS2 P07478 3/20 0.37
▸ PRSS3 P35030 3/20 0.37
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ VCAM1 P19320 2/20 0.35
▸ THRB P10828 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ MCOLN3 Q8TDD5 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPT P10636 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
SCHEMBL9811381 0.89 KMT2A (0.46) MEN1KMT2ATDP1L3MBTL1VCAM1
SCHEMBL10651980 0.85 KMT2A (0.47) MEN1KMT2AF2PRSS1PRSS2
SCHEMBL10738160 0.81 MEN1 (0.42) MEN1KMT2AF2PRSS1PRSS2
Oxalic Acid SCHEMBL10738176 0.79 MEN1 (0.44) MEN1KMT2AF2PRSS1PRSS2
SCHEMBL31651001 0.77 KMT2A (0.58) MEN1KMT2AF2PRSS1PRSS2
SCHEMBL31651003 0.77 KMT2A (0.58) MEN1KMT2AF2PRSS1PRSS2
SCHEMBL10650939 0.75 KMT2A (0.51) MEN1KMT2ATDP1L3MBTL1VCAM1
SCHEMBL10650928 0.75 KMT2A (0.51) MEN1KMT2ATDP1L3MBTL1VCAM1
SCHEMBL10566821 0.74 KMT2A (0.45) MEN1KMT2AF2PRSS1PRSS2
Hydrochloric Acid SCHEMBL10652496 0.74 VCAM1 (0.42) MEN1KMT2AF2PRSS1PRSS2

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-0197386-B1 2-(SUBSTITUTED SULFAMYL) DERIVATIVES OF 6-NITROBENZOIC ACID, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1988-11-02 — — EP disclosed
US-4647588-A 2-(substituted sulfamyl)-6-nitrobenzoic acid amides and pharmaceutical compositions MERCK & CO., INC. (US) 1987-03-03 — — US disclosed
EP-0197386-A1 2-(Substituted sulfamyl) derivatives of 6-nitrobenzoic acid, process for their preparation and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-10-15 — — EP disclosed
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