SCHEMBL2919196

SCHEMBL2919196

O=Nc1c(Br)cc(S(=O)(=O)[O-])cc1Br.[Na+]

nearest known ligand 0.38

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
CA2 known ✓ P00918 3/20 0.35
CA1 known ✓ P00915 2/20 0.35
CA12 known ✓ O43570 1/20 0.35
CA4 known ✓ P22748 1/20 0.35
THRB known ✓ P10828 1/20 0.30
DUSP5 Q16690 4/20 0.38
PTPN1 P18031 3/20 0.38
DUSP6 Q16828 1/20 0.38
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA9 Q16790 2/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
CA3 P07451 1/20 0.34
FTO Q9C0B1 1/20 0.33
PKLR P30613 1/20 0.31
CYP1A2 P05177 1/20 0.30

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
SCHEMBL30918582 0.80 LMNA (0.31) LMNATDP1
SCHEMBL1578378 0.77 LCK (0.39) LMNATDP1CA2CA1CA9
SCHEMBL3511719 0.74 CA2 (0.64) DUSP5PTPN1DUSP6LMNATDP1
SCHEMBL1005172 0.74 DUSP5 (0.55) DUSP5PTPN1DUSP6LMNATDP1
SCHEMBL124132 0.71 DUSP5 (0.54) DUSP5PTPN1DUSP6LMNATDP1
SCHEMBL11078667 0.70 DUSP5 (0.45) DUSP5PTPN1DUSP6LMNATDP1
SCHEMBL6917502 0.67 LMNA (0.45) DUSP5PTPN1DUSP6LMNATDP1
SCHEMBL6909131 0.67 LMNA (0.45) PTPN1LMNATDP1CA2CA1
SCHEMBL6915356 0.67 LMNA (0.45) DUSP5PTPN1DUSP6LMNATDP1
Zinc Ion SCHEMBL6915388 0.67 LMNA (0.45) DUSP5PTPN1DUSP6LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1719517-B1 ARTIFICIAL PHYSIOLOGICAL SALT SOLUTION AND PROCESS FOR PRODUCING THE SAME NIHON TRIM CO LTD (JP) 2010-08-25 EP claimed
US-20250263772-A1 TEST METHOD FOR PHYSICAL FRAILTY, TEST REAGENT FOR PHYSICAL FRAILTY, METHOD FOR SCREENING THERAPEUTIC CANDIDATE SUBSTANCE FOR PHYSICAL FRAILTY, TEST MELTHOD FOR MENTAL FRAILTY, TEST REAGENT FOR MENTAL FRAILTY, AND METHOD FOR SCREENING THERAPEUTIC CNADIDATE SUBSTANCE FOR MENTAL FRAILTY BIORADICAL RESEARCH INSTITUTE CORP. (JP) 2025-08-21 US disclosed
CN-119269569-A Method and system for spectrogram analysis 上海人工智能创新中心 2025-01-07 CN disclosed
WO-2024171625-A1 METHOD FOR PRODUCING TRYPTOPHAN DECOMPOSITION PRODUCT, METHOD FOR PRODUCING FORMYLKYNURENINE, METHOD FOR PRODUCING KYNURENINE, METHOD FOR PRODUCING TRYPTOPHANRADICALS-CONTAINING AQUEOUS SOLUTION, AND BACTERICIDAL AQUEOUS SOLUTION 国立大学法人東海国立大学機構 2024-08-22 WO disclosed
CN-118019984-A Method for testing physical weakness, reagent for testing physical weakness, method for screening candidate substance for therapeutic agent for physical weakness, method for testing mental weakness, reagent for testing mental weakness, and method for screening candidate substance for therapeutic agent for mental weakness 株式会社生物自由基研究所 2024-05-10 CN disclosed
WO-2023021843-A1 PHYSICAL FRAILTY TESTING METHOD, PHYSICAL FRAILTY TESTING REAGENT, SCREENING METHOD FOR PHYSICAL FRAILTY THERAPEUTIC DRUG CANDIDATE SUBSTANCE, MENTAL FRAILTY TESTING METHOD, MENTAL FRAILTY TESTING REAGENT, AND SCREENING METHOD FOR MENTAL FRAILTY THERAPEUTIC DRUG CANDIDATE SUBSTANCE 株式会社バイオラジカル研究所 2023-02-23 WO disclosed
EP-1719517-B1 ARTIFICIAL PHYSIOLOGICAL SALT SOLUTION AND PROCESS FOR PRODUCING THE SAME NIHON TRIM CO LTD (JP) 2010-08-25 EP disclosed
US-20080274546-A1 ARTIFICIAL PHYSIOLOGICAL SALT SOLUTION AND MANUFACTURING METHOD FOR SAME KABAYAMA SHIGERU 2008-11-06 US disclosed
US-20080038372-A1 Artificial Physiological Salt Solution and Manufacturing Method for Same KABAYAMA SHIGERU 2008-02-14 US disclosed
EP-1719517-A1 ARTIFICIAL PHYSIOLOGICAL SALT SOLUTION AND PROCESS FOR PRODUCING THE SAME Nihon Trim Co., Ltd. (JP) 2006-11-08 EP disclosed
US-6121305-A 5,5'-DIHYDROXY-4,4'-BIPYRAZOLE COMPOUNDS OF GIVEN FORMULA; FREE RADICAL SCAVENGER; USE TO TREAT CEREBRAL ISCHEMIA, HEART DISEASE, CARCINOMA, AGING, INFLAMMATION OR DIGESTIVE SYSTEM DISEASE, OR IN DETECTION OF AN ACTIVE OXYGEN OR FREE RADICALS DAIICHI RADIOISOTOPE LABORATORIES, LTD. (JP) 2000-09-19 US disclosed
EP-0327263-B1 Hair growth stimulation with nitroxide and other radicals PROCTOR PETER H (US) 1994-09-07 EP disclosed
EP-0327263-A1 Hair growth stimulation with nitroxide and other radicals PROCTOR, Peter H. (US) 1989-08-09 EP disclosed