SCHEMBL715240

SCHEMBL715240

Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)O.[Na+]

nearest known ligand 0.57

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB known ✓ P10828 1/20 0.53
PDE4A known ✓ P27815 1/20 0.45
PDE4B known ✓ Q07343 1/20 0.45
PDE4D known ✓ Q08499 1/20 0.45
CA12 known ✓ O43570 1/20 0.44
CA1 known ✓ P00915 1/20 0.44
CA2 known ✓ P00918 1/20 0.44
CA4 known ✓ P22748 1/20 0.44
NT5E P21589 2/20 0.57
GAA P10253 2/20 0.53
TDP1 Q9NUW8 4/20 0.52
ALDH1A1 P00352 6/20 0.50
CYP3A4 P08684 4/20 0.50
S1PR4 O95977 1/20 0.49
LMNA P02545 1/20 0.49
RAB9A P51151 1/20 0.49
TSHR P16473 2/20 0.49
ALOX15 P16050 2/20 0.49
HTT P42858 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL67062 0.98 NT5E (0.59) NT5EGAATHRBTDP1ALDH1A1
SCHEMBL315765 0.98 NT5E (0.59) NT5EGAATHRBTDP1ALDH1A1
Ammonia Solution, Strong SCHEMBL5566240 0.96 NT5E (0.57) NT5EGAATHRBTDP1ALDH1A1
SCHEMBL715241 0.96 NT5E (0.57) NT5EGAATHRBTDP1ALDH1A1
Ammonia Solution, Strong SCHEMBL5566229 0.96 NT5E (0.57) NT5EGAATHRBTDP1ALDH1A1
Fluoride SCHEMBL11674539 0.96 NT5E (0.57) NT5EGAATHRBTDP1ALDH1A1
SCHEMBL715238 0.96 NT5E (0.57) NT5EGAATHRBTDP1ALDH1A1
Ammonia Solution, Strong SCHEMBL29104708 0.95 NT5E (0.56) NT5EGAATHRBTDP1ALDH1A1
SCHEMBL1485915 0.86 GAA (0.58) NT5EGAATHRBTDP1ALDH1A1
SCHEMBL9636142 0.84 CYP3A4 (0.60) NT5EGAATHRBTDP1ALDH1A1

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114560848-A Reactive light/light-perspiration resistant composite color fastness improver and preparation method thereof 山东中康国创先进印染技术研究院有限公司 2022-05-31 CN claimed
CN-113200931-B Reactive light-sweat-resistant composite fastness improver and preparation method thereof 浙江理工大学上虞工业技术研究院有限公司 2022-05-13 CN claimed
CN-113200931-A Reactive light-sweat-resistant composite fastness improver and preparation method thereof 浙江理工大学上虞工业技术研究院有限公司 2021-08-03 CN claimed
CN-114560848-A Reactive light/light-perspiration resistant composite color fastness improver and preparation method thereof 山东中康国创先进印染技术研究院有限公司 2022-05-31 CN disclosed
CN-113200931-B Reactive light-sweat-resistant composite fastness improver and preparation method thereof 浙江理工大学上虞工业技术研究院有限公司 2022-05-13 CN disclosed
CN-113200931-A Reactive light-sweat-resistant composite fastness improver and preparation method thereof 浙江理工大学上虞工业技术研究院有限公司 2021-08-03 CN disclosed
EP-2038286-B1 PYRRO[1,2-B]PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed
US-8178271-B2 Polymer having a sulfonic group or a sulfonate group and an amide group and method of producing same CANON KABUSHIKI KAISHA (JP) 2012-05-15 US disclosed
US-20120050382-A1 INK JET INK COMPOSITION, INK JET RECORDING METHOD, INK CARTRIDGE, RECORDING UNIT, AND INK JET RECORDING APPARATUS SONY CORPORATION (JP) 2012-03-01 US disclosed
EP-2292670-A2 Charge control agent, toner, image forming method, and image forming apparatus Canon Kabushiki Kaisha (JP) 2011-03-09 EP disclosed
US-7842838-B2 Pyrro[1,2-b]pyridazinone intermediates ANADYS PHARMACEUTICALS, INC. (US) 2010-11-30 US disclosed
WO-2005121204-A2 POLYHYDROXYALKANOIC ACID HAVING VINYL, ESTER, CARBOXYL OR SULFONIC ACID GROUP AND PRODUCING METHOD THEREFOR CANON KABUSHIKI KAISHA (JP) 2005-12-22 WO disclosed
WO-2005121208-A1 POLYHYDROXYALKANOIC ACID HAVING ESTER, CARBOXYL OR SULFONIC ACID GROUP AND PRODUCING METHOD THEREFOR CANON KABUSHIKI KAISHA (JP) 2005-12-22 WO disclosed
WO-2005121206-A2 POLYHYDROXYALKANOATE HAVING VINYL GROUP, ESTER GROUP, CARBOXYL GROUP AND SULFONIC ACID GROUP, AND PRODUCTION METHOD THEREOF CANON KABUSHIKI KAISHA (JP) 2005-12-22 WO disclosed
WO-2005108441-A2 POLYMER HAVING A SULFONIC GROUP OR A SULFONATE GROUP AND AN AMIDE GROUP AND METHOD OF PRODUCING SAME CANON KABUSHIKI KAISHA (JP) 2005-11-17 WO disclosed
WO-2005103164-A1 SALTS OF LAKED MONOAZO COMPOUNDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-11-03 WO disclosed
EP-1579276-A1 NOVEL POLYHYDROXYALKANOATE HAVING AMIDE, SULFONIC ACID OR SULFONATE ESTER GROUP, CHARGE CONTROL AGENT AND TONER CANON KABUSHIKI KAISHA (JP) 2005-09-28 EP disclosed
WO-2004061529-A1 NOVEL POLYHYDROXYALKANOATE HAVING AMIDE, SULFONIC ACID OR SULFONATE ESTER GROUP, CHARGE CONTROL AGENT AND TONER CANON KABUSHIKI KAISHA (JP) 2004-07-22 WO disclosed
US-3998957-A 1,1'-(UREYLENEBIS(SULFO-P-PHENYLENE)BISSULFO-1H,8H-INDAZOLO(2,3,4-CDE)BENZOTRIAZOL-9-IUM HYDROXIDE)INNER SALT AMERICAN CYANAMID COMPANY (US) 1976-12-21 US disclosed
US-3942987-A Photographic materials with ballasted, alkali cleavable azo dyes EASTMAN KODAK COMPANY 1976-03-09 US disclosed