SCHEMBL3202730

SCHEMBL3202730

O=[N+]([O-])c1cc(O)cc(S(=O)(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
NSD2 O96028 1/20 0.50
PLCG1 P19174 1/20 0.50
DNMT1 P26358 1/20 0.50
CASP6 P55212 1/20 0.50
ALDH1A1 P00352 3/20 0.46
ALOX15 P16050 2/20 0.46
TSHR P16473 1/20 0.46
CYTH2 Q99418 1/20 0.44
LMNA P02545 2/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
KMT2A Q03164 4/20 0.43
HTT P42858 3/20 0.43
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 3/20 0.42
GPR35 Q9HC97 2/20 0.42
CA2 P00918 3/20 0.41

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
SCHEMBL11228135 0.88 GAA (0.52) GAAL3MBTL1NSD2PLCG1DNMT1
SCHEMBL668513 0.88 CYP19A1 (0.52) GAAL3MBTL1NSD2PLCG1DNMT1
SCHEMBL11221366 0.86 GAA (0.50) GAAL3MBTL1NSD2PLCG1DNMT1
SCHEMBL28543490 0.86 GAA (0.50) GAAL3MBTL1NSD2PLCG1DNMT1
SCHEMBL2437802 0.83 CYTH2 (0.46) GAAL3MBTL1ALDH1A1ALOX15TSHR
SCHEMBL12325101 0.80 HTT (0.44) GAAL3MBTL1ALDH1A1ALOX15TSHR
SCHEMBL1024318 0.79 ACP1 (0.50) GAAL3MBTL1NSD2PLCG1DNMT1
SCHEMBL14902037 0.79 TSHR (0.61) GAAL3MBTL1NSD2PLCG1DNMT1
SCHEMBL6355256 0.79 GAA (0.53) GAAL3MBTL1NSD2PLCG1DNMT1
SCHEMBL9265700 0.79 ALDH1A1 (0.60) L3MBTL1ALDH1A1ALOX15TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678702-B2 CMP composition of boron surface-modified abrasive and nitro-substituted sulfonic acid and method of use AIR PRODUCTS AND CHEMICALS, INC. (US) 2010-03-16 US claimed
US-8435800-B2 Activated labeling reagents and methods for preparing and using the same BIOSIGHT LTD. (IL) 2013-05-07 US disclosed
US-7678702-B2 CMP composition of boron surface-modified abrasive and nitro-substituted sulfonic acid and method of use AIR PRODUCTS AND CHEMICALS, INC. (US) 2010-03-16 US disclosed
US-20090203879-A1 ACTIVATED LABELING REAGENTS AND METHODS FOR PREPARING AND USING THE SAME BIOSIGHT LTD 2009-08-13 US disclosed
EP-1814908-A4 ACTIVATED LABELING REAGENTS AND METHODS FOR PREPARING AND USING THE SAME BIOSIGHT LTD (IL) 2009-07-01 EP disclosed
EP-1814908-A1 ACTIVATED LABELING REAGENTS AND METHODS FOR PREPARING AND USING THE SAME Biosight Ltd. (IL) 2007-08-08 EP disclosed
US-7247566-B2 CMP method for copper, tungsten, titanium, polysilicon, and other substrates using organosulfonic acids as oxidizers DUPONT AIR PRODUCTS NANOMATERIALS LLC (US) 2007-07-24 US disclosed
US-20070054495-A1 CMP composition of boron surface-modified abrasive and nitro-substituted sulfonic acid and method of use VERSUM MATERIALS US, LLC 2007-03-08 US disclosed
WO-2006054310-A1 ACTIVATED LABELING REAGENTS AND METHODS FOR PREPARING AND USING THE SAME BIOSIGHT LTD. (IL) 2006-05-26 WO disclosed
US-20050090109-A1 CMP method for copper, tungsten, titanium, polysilicon, and other substrates using organosulfonic acids as oxidizers VERSUM MATERIALS US, LLC 2005-04-28 US disclosed