SCHEMBL9225420

SCHEMBL9225420

O=[N+]([O-])c1ccc(Nc2ccccc2S(=O)(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.67
▸ L3MBTL1 Q9Y468 3/20 0.56
▸ HPGD P15428 1/20 0.56
▸ ALOX12 P18054 1/20 0.56
▸ CD40 P25942 2/20 0.50
▸ CD40LG P29965 2/20 0.50
▸ TTR P02766 1/20 0.49
▸ FABP4 P15090 1/20 0.49
▸ CCNA2 P20248 1/20 0.49
▸ CDK2 P24941 1/20 0.49
▸ MAPK14 Q16539 1/20 0.49
▸ CXCR2 P25025 1/20 0.49
▸ NR4A1 P22736 1/20 0.48
▸ MAPT P10636 5/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ TDP1 Q9NUW8 3/20 0.48
▸ GAA P10253 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ PKM P14618 1/20 0.48

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
SCHEMBL9219318 0.85 L3MBTL1 (0.56) NT5EL3MBTL1HPGDALOX12CXCR2
SCHEMBL28964399 0.83 MEN1 (0.62) CD40CD40LGCXCR2MAPTKMT2A
SCHEMBL7820869 0.82 NT5E (0.67) NT5EL3MBTL1HPGDALOX12CXCR2
SCHEMBL4948926 0.80 MAPT (0.63) NT5EL3MBTL1HPGDMAPTKMT2A
SCHEMBL4948931 0.80 MAPT (0.63) NT5EL3MBTL1HPGDMAPTKMT2A
SCHEMBL28375987 0.80 NT5E (1.00) NT5EL3MBTL1HPGDALOX12MAPT
SCHEMBL6264332 0.80 FABP4 (0.70) L3MBTL1HPGDTTRFABP4CCNA2
Ammonia Solution, Strong SCHEMBL1556275 0.79 NR4A1 (0.71) L3MBTL1TTRFABP4CCNA2CDK2
SCHEMBL11797457 0.78 NPC1 (0.66) CD40CD40LGMAPTKMT2AMEN1
SCHEMBL108329 0.78 NT5E (0.61) NT5EL3MBTL1HPGDALOX12MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5380456-A Aromatic aminosulfonic acid, liquid bleach UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1995-01-10 — — US disclosed
EP-0466902-A4 STABILIZATION OF AQUEOUS PEROXYGEN SOLUTIONS — 1992-05-20 — — EP disclosed
EP-0466902-A1 STABILIZATION OF AQUEOUS SOLUTIONS CONTAINING SODIUM PERBORATE OR SODIUM PERCARBONATE UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1992-01-22 — — EP disclosed
WO-1991011388-A1 STABILIZATION OF AQUEOUS PEROXYGEN SOLUTIONS UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1991-08-08 — — WO disclosed
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