SCHEMBL10651980

SCHEMBL10651980

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ F2 P00734 3/20 0.39
▸ PRSS1 P07477 3/20 0.39
▸ PRSS2 P07478 3/20 0.39
▸ PRSS3 P35030 3/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ VCAM1 P19320 3/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ THRB P10828 1/20 0.37
▸ GSTO1 P78417 1/20 0.37

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 0.90 MEN1 (0.44) KMT2AMEN1ALDH1A1KDM4EF2
SCHEMBL10650928 0.89 KMT2A (0.51) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL10650939 0.89 KMT2A (0.51) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL9811297 0.88 KMT2A (0.47) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL10566821 0.86 KMT2A (0.45) KMT2AMEN1ALDH1A1KDM4EF2
Hydrochloric Acid SCHEMBL10652496 0.85 VCAM1 (0.42) KMT2AMEN1ALDH1A1KDM4EF2
SCHEMBL10654834 0.85 MEN1 (0.46) KMT2AMEN1ALDH1A1F2PRSS1
SCHEMBL12188688 0.83 KMT2A (0.66) KMT2AMEN1ALDH1A1KDM4EF2
SCHEMBL10737106 0.81 KMT2A (0.44) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL10572923 0.81 KMT2A (0.45) KMT2AMEN1ALDH1A1KDM4ETDP1

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-4654369-A Esters of 2-(substituted sulfamyl)-6-nitro-benzoic acid and pharmaceutical compositions MERCK & CO., INC. (US) 1987-03-31 — — 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
Send feedback