SCHEMBL457269

SCHEMBL457269

O=[N+]([O-])c1ccc[c]c1S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
GPR35 Q9HC97 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
TDP1 Q9NUW8 4/20 0.39
F2 P00734 2/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
S100A4 P26447 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NSD2 O96028 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
Pyridine SCHEMBL27622793 0.89 KMT2A (0.39) KMT2AMEN1GPR35CA1CA2
SCHEMBL4362054 0.82 KMT2A (0.47) KMT2AMEN1GPR35CA1CA2
SCHEMBL41322 0.73 GPR35 (0.54) KMT2AMEN1GPR35TDP1ALDH1A1
Sulfuric Acid SCHEMBL1323443 0.72 KMT2A (0.61) KMT2AMEN1GPR35CA1CA2
SCHEMBL9769219 0.72 VCAM1 (0.53) CA1ALDH1A1HPGDGAA
SCHEMBL457268 0.71 KMT2A (0.43) KMT2AMEN1CA1CA2MMP1
SCHEMBL483018 0.71 SMN1; SMN2 (0.34) CA2MMP2MMP9TDP1ALDH1A1
SCHEMBL692167 0.71 TTR (0.38)
SCHEMBL691617 0.71 ALDH1A1 (0.35) KMT2AMEN1TDP1ALDH1A1HPGD
SCHEMBL33832 0.71 TDP1 (0.46) KMT2AMEN1GPR35TDP1S100A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120217444-A1 COMPOSITION AND METHOD FOR INHIBITING PREMATURE POLYMERIZATION GENERAL ELECTRIC COMPANY 2012-08-30 US disclosed
WO-2012033800-A1 COMPOSITION AND METHOD FOR INHIBITING PREMATURE POLYMERIZATION GENERAL ELECTRIC COMPANY (US) 2012-03-15 WO disclosed
EP-0906257-B2 MIXTURES CONTAINING MONOMERS AND STABILIZERS BASF SE (DE) 2010-04-07 EP disclosed
EP-0944563-B1 SUBSTANCE MIXTURES CONTAINING STABILIZERS AND COMPOUNDS CONTAINING VINYL GROUPS BASF AG (DE) 2002-04-03 EP disclosed
EP-0906257-B1 MIXTURES CONTAINING MONOMERS AND STABILIZERS BASF AG (DE) 2001-07-25 EP disclosed
US-6200460-B1 MIXTURE COMPRISING VINYL AROMATIC COMPOUND, ACTIVE AMOUNT OF MIXTURE WHICH INHIBITS THE PREMATURE POLYMERIZATION OF SAID COMPOUND COMPRISING NOXYL COMPOUND, IRON COMPOUND, OPTIONALLY NITRO COMPOUNDS AND COSTABILIZERS BASF AKTIENGESELLSCHAFT (DE) 2001-03-13 US disclosed
WO-2000069793-A1 MIXTURE OF SUBSTANCES, COMPRISING STABILISERS AND COMPOUNDS WHICH CONTAIN VINYL GROUPS BASF AKTIENGESELLSCHAFT (DE) 2000-11-23 WO disclosed
US-6143205-A A MIXTRUE COMPRISES A VINYL-CONTAINING MONOMERS, AND A MIXTURE OF PREMATURE POLYMERIZATION INHIBITOR OF MONOMERS DURING PURIFICATION OR DISTILLATION COMPRISING A N-OXYL COMPOUND OF SECONDARY AMINE AND A NITRO COMPOUND BASF AKTIENGESELLSCHAFT (DE) 2000-11-07 US disclosed
WO-1999060072-A1 SUBSTANCE MIXTURES WHICH COMPRISE COMPOUNDS CONTAINING VINYL GROUPS AND WHICH COMPRISE STABILIZERS BASF AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed
EP-0944563-A1 SUBSTANCE MIXTURES CONTAINING STABILIZERS AND COMPOUNDS CONTAINING VINYL GROUPS BASF AKTIENGESELLSCHAFT (DE) 1999-09-29 EP disclosed
EP-0906257-A1 MIXTURES CONTAINING MONOMERS AND STABILIZERS BASF AKTIENGESELLSCHAFT (DE) 1999-04-07 EP disclosed
WO-1998025872-A1 SUBSTANCE MIXTURES CONTAINING STABILIZERS AND COMPOUNDS CONTAINING VINYL GROUPS BASF AKTIENGESELLSCHAFT (DE) 1998-06-18 WO disclosed
WO-1997046504-A1 MIXTURES CONTAINING MONOMERS AND STABILIZERS BASF AKTIENGESELLSCHAFT (DE) 1997-12-11 WO disclosed
EP-0739952-A2 Azo dyestuff mixtures and their use CIBA-GEIGY AG (CH) 1996-10-30 EP disclosed