SCHEMBL6820933

SCHEMBL6820933

O=[N+]([O-])c1cccc([N+](=O)[O-])c1NS(=O)(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
MAPT P10636 4/20 0.61
CRHBP P24387 2/20 0.57
CRHR2 Q13324 2/20 0.57
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
PKM P14618 2/20 0.57
FFAR4 Q5NUL3 2/20 0.56
CA2 P00918 3/20 0.54
CA12 O43570 2/20 0.54
CA9 Q16790 2/20 0.54
NAT1 P18440 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
HPGD P15428 2/20 0.49
IL1RN P18510 1/20 0.48
KEAP1 Q14145 1/20 0.48
ERAP1 Q9NZ08 1/20 0.48
CA1 P00915 2/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47

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
SCHEMBL11499330 0.89 MAPT (0.55) ALDH1A1MAPTCRHBPCRHR2KMT2A
SCHEMBL17978582 0.83 CRHBP (0.69) ALDH1A1MAPTCRHBPCRHR2FFAR4
SCHEMBL2003165 0.83 ALDH1A1 (0.66) ALDH1A1MAPTCRHBPCRHR2KMT2A
SCHEMBL30561863 0.83 ALDH1A1 (0.66) ALDH1A1MAPTCRHBPCRHR2KMT2A
SCHEMBL11651294 0.80 ALDH1A1 (0.62) ALDH1A1MAPTCRHBPCRHR2KMT2A
SCHEMBL17978559 0.80 MAPT (0.58) ALDH1A1MAPTCRHBPCRHR2KMT2A
SCHEMBL11325141 0.77 CA2 (0.50) ALDH1A1MAPTKMT2AMEN1CA2
SCHEMBL29967708 0.76 MEN1 (0.61) ALDH1A1MAPTCRHBPCRHR2KMT2A
SCHEMBL29023901 0.76 MEN1 (0.61) ALDH1A1MAPTCRHBPCRHR2KMT2A
SCHEMBL19384860 0.76 MAPT (0.58) ALDH1A1MAPTCRHBPCRHR2KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108997177-A A kind of method of microwave assisted N- benzenesulfonyl nitrobenzene amine compound synthesis 邵阳学院 2018-12-14 CN claimed
EP-1185265-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-02-04 EP disclosed
EP-1185265-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-03-13 EP disclosed
US-6300325-B1 HETEROCYCLIC RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION 2001-10-09 US disclosed
WO-2000076501-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-21 WO disclosed
EP-0991406-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-12-13 EP disclosed
EP-0991406-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-04-12 EP disclosed
WO-1998032439-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-07-30 WO disclosed