SCHEMBL8301266

SCHEMBL8301266

N#[N+]c1ccccc1S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.40
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TTR P02766 2/20 0.38
FABP4 P15090 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
MAPK14 Q16539 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
NR4A1 P22736 1/20 0.34
CYP1A2 P05177 1/20 0.33
PGAM1 P18669 1/20 0.33
SNCA P37840 2/20 0.33
CHAT P28329 1/20 0.33
GAA P10253 2/20 0.32
POLB P06746 2/20 0.32
MPL P40238 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NSD2 O96028 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
Water SCHEMBL8022996 0.98 MYC (0.39) MYCTSHRSMN1; SMN2TTRFABP4
Hydrochloric Acid SCHEMBL3424872 0.98 MYC (0.39) MYCTSHRSMN1; SMN2TTRFABP4
SCHEMBL28206790 0.92 MYC (0.36) MYCTSHRSMN1; SMN2TTRFABP4
SCHEMBL9094990 0.78 PKLR (0.34) PGAM1GAACA1CA2CA4
SCHEMBL2618027 0.76 TTR (0.46) TTRCYP1A2MPLNSD2ALDH1A1
Nitrogen SCHEMBL28287047 0.76 TSHR (0.50) MYCTSHRSMN1; SMN2TTRFABP4
SCHEMBL29664068 0.75 TSHR (0.55) MYCTSHRSMN1; SMN2TTRFABP4
SCHEMBL150335 0.75 TSHR (0.55) MYCTSHRSMN1; SMN2TTRFABP4
Hydrochloric Acid SCHEMBL3422416 0.75 COMT (0.46) TTRCYP1A2POLBMPLNSD2
SCHEMBL2618019 0.74 ALDH1A1 (0.40) TSHRSMN1; SMN2TDP1SNCAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104937146-A Electropolymerization of a coating onto an electrode material UNIV COLORADO STATE RES FOUND 2015-09-23 CN claimed
EP-0508264-B1 Process for the arylation of olefines BAYER AG (DE) 1995-04-26 EP claimed
US-5231223-A PROCESS FOR THE ARYLATION OF OLEFINS BAYER AKTIENGESELLSCHAFT (DE) 1993-07-27 US claimed
US-7951431-B2 Processes for producing coating fluid and optically anisotropic film NITTO DENKO CORPORATION (JP) 2011-05-31 US disclosed
US-20100065974-A1 PROCESSES FOR PRODUCING COATING FLUID AND OPTICALLY ANISOTROPIC FILM NITTO DENKO CORPORATION (JP) 2010-03-18 US disclosed
EP-0799195-B1 PROCESS FOR THE PREPARATION OF AROMATIC O-SULFOCARBOXYLIC ACIDS AND SULFONYLUREAS NOVARTIS AG (CH) 1999-04-14 EP disclosed
US-5883253-A Process for the preparation of aromatic O-sulfocarboxylic acids and sulfonylureas NOVARTIS AG (CH) 1999-03-16 US disclosed
EP-0799195-A1 PROCESS FOR THE PREPARATION OF AROMATIC O-SULFOCARBOXYLIC ACIDS AND SULFONYLUREAS Novartis AG (CH) 1997-10-08 EP disclosed
WO-1996019443-A1 PROCESS FOR THE PREPARATION OF AROMATIC O-SULFOCARBOXYLIC ACIDS AND SULFONYLUREAS NOVARTIS AG (CH) 1996-06-27 WO disclosed
EP-0175330-B1 INTEGRAL MULTILAYER ANALYTICAL ELEMENT FOR QUANTITATIVE ANALYSIS OF BILIRUBIN FUJI PHOTO FILM CO., LTD. (JP) 1991-11-27 EP disclosed
EP-0175330-A2 Integral multilayer analytical element for quantitative analysis of bilirubin FUJI PHOTO FILM CO., LTD. (JP) 1986-03-26 EP disclosed