SCHEMBL457268

SCHEMBL457268

O=[N+]([O-])c1[c]cccc1S(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
F2 P00734 3/20 0.35
PRSS1 P07477 3/20 0.35
PRSS2 P07478 3/20 0.35
PRSS3 P35030 3/20 0.35
ALDH1A1 P00352 4/20 0.34
NT5E P21589 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
ATIC P31939 1/20 0.34

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
SCHEMBL4362057 0.82 KMT2A (0.43) KMT2AMEN1CA1CA2MMP1
SCHEMBL2123262 0.78 KMT2A (0.40) KMT2AMEN1CA1CA2MMP1
SCHEMBL3042315 0.73 GPR35 (0.42) KMT2AMEN1ALDH1A1ALOX15HIF1A
SCHEMBL457269 0.71 KMT2A (0.47) KMT2AMEN1CA1CA2MMP1
SCHEMBL692167 0.71 TTR (0.38) CYP1A2TTRMYCTSHR
SCHEMBL176809 0.71 TTR (0.38) ALDH1A1CYP1A2HIF1AHSD17B10TTR
SCHEMBL7136437 0.71 TDP1 (0.46) KMT2AMEN1ALDH1A1HSD17B10TSHR
SCHEMBL33832 0.71 TDP1 (0.46) KMT2AMEN1ALDH1A1HSD17B10TSHR
SCHEMBL2075135 0.69 MAPT (0.36) KMT2AMEN1ALDH1A1CYP2C9HIF1A
SCHEMBL151052 0.69 KMT2A (0.70) KMT2AMEN1CA1CA2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5120859-A Anticoagulants GENENTECH, INC. (US) 1992-06-09 US claimed
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