SCHEMBL540370

SCHEMBL540370

O=S(=O)([O-])c1ccc(Nc2ccccc2)cc1.[Na+]

nearest known ligand 0.56

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
PTGS1 known ✓ P23219 1/20 0.56
PTGS2 known ✓ P35354 1/20 0.56
CA12 known ✓ O43570 1/20 0.48
CA2 known ✓ P00918 1/20 0.48
P2RY12 known ✓ Q9H244 2/20 0.47
P2RY2 known ✓ P41231 1/20 0.47
P2RY4 known ✓ P51582 1/20 0.47
ALDH1A1 P00352 5/20 0.56
L3MBTL1 Q9Y468 4/20 0.56
HSD17B10 Q99714 3/20 0.56
ALOX12 P18054 3/20 0.56
TSHR P16473 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
ALOX15 P16050 1/20 0.56
SLC6A2 P23975 1/20 0.56
MAPK1 P28482 1/20 0.56
HTR2B P41595 1/20 0.56
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
GAA P10253 3/20 0.53

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
SCHEMBL4443489 0.96 ALDH1A1 (0.56) ALDH1A1L3MBTL1HSD17B10ALOX12TSHR
SCHEMBL1916324 0.89 TDP1 (0.52) ALDH1A1L3MBTL1HSD17B10ALOX12TSHR
SCHEMBL218141 0.89 TDP1 (0.52) ALDH1A1L3MBTL1HSD17B10ALOX12TSHR
Diphenylamine SCHEMBL11870143 0.86 HSD17B10 (0.63) ALDH1A1L3MBTL1HSD17B10ALOX12TSHR
SCHEMBL29757686 0.85 SNCA (0.71) ALDH1A1L3MBTL1HSD17B10ALOX12TSHR
SCHEMBL29577178 0.84 SNCA (0.64) ALDH1A1L3MBTL1HSD17B10ALOX12TSHR
Diphenylamine SCHEMBL5145286 0.81 HSD17B10 (0.63) ALDH1A1L3MBTL1HSD17B10ALOX12TSHR
Diphenylamine SCHEMBL28157736 0.81 HSD17B10 (0.63) ALDH1A1L3MBTL1HSD17B10ALOX12TSHR
SCHEMBL1981609 0.81 HTR6 (0.55) ALDH1A1HSD17B10TSHRTDP1MEN1
SCHEMBL28929 0.81 HTR6 (0.55) ALDH1A1HSD17B10TSHRTDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119777030-A Degradable parallel composite regenerated high-elastic polyester staple fiber and preparation method thereof 宁波大发新材料有限公司 2025-04-08 CN claimed
CN-117164738-B Modified guar gum for fracturing and preparation method thereof 东营施普瑞石油工程技术有限公司 2024-08-13 CN claimed
WO-2024128570-A1 METHOD FOR PRODUCING CRYSTALLINE FIBER USING CARBOXYLIC ACID, SULFONIC ACID, PHOSPHORIC ACID, OR ACID SALT DERIVATIVE THEREOF (주)비에이에너지 2024-06-20 WO claimed
CN-118165400-A 220KV and above semiconductor shielding material and preparation method thereof 万华化学(宁波)有限公司 2024-06-11 CN claimed
CN-117866188-B Thickened oil demulsifier and preparation method thereof 山东滨州昱诚化工科技有限公司 2024-06-07 CN claimed
CN-117987960-A High-density curled regenerated hollow polyester staple fiber, preparation method and latex-like cotton prepared from same 余姚大发化纤有限公司 2024-05-07 CN claimed
CN-117866188-A Thickened oil demulsifier and preparation method thereof 山东滨州昱诚化工科技有限公司 2024-04-12 CN claimed
CN-117587410-A Corrosion inhibitor for oil field and preparation method thereof 胜利油田物华化工厂 2024-02-23 CN claimed
CN-117343001-A Corrosion inhibitor for oil field and synthesis method thereof 东营众悦石油科技有限公司 2024-01-05 CN claimed
CN-117164738-A Modified guar gum for fracturing and preparation method thereof 东营施普瑞石油工程技术有限公司 2023-12-05 CN claimed
US-8716024-B2 Control solution for use in testing an electrochemical system BAYER HEALTHCARE LLC (US) 2014-05-06 US claimed
US-20130078724-A1 Control Solution For Use In An Electrochemical System BAYER HEALTHCARE LLC (US) 2013-03-28 US claimed
US-8337691-B2 Control markers for auto-detection of control solution and method of use BAYER HEALTHCARE LLC (US) 2012-12-25 US claimed
WO-2009076302-A1 CONTROL MARKERS FOR AUTO-DETECTION OF CONTROL SOLUTION AND METHODS OF USE BAYER HEALTHCARE LLC (US) 2009-06-18 WO claimed
US-20090148875-A1 Control markers for auto-detection of control solution and method of use ASCENSIA DIABETES CARE HOLDINGS AG (CH) 2009-06-11 US claimed
US-5500668-A INK JET PRINTING XEROX CORPORATION (US) 1996-03-19 US claimed
US-5380456-A Aromatic aminosulfonic acid, liquid bleach UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1995-01-10 US claimed
EP-0466902-A4 STABILIZATION OF AQUEOUS PEROXYGEN SOLUTIONS 1992-05-20 EP claimed
EP-0466902-A1 STABILIZATION OF AQUEOUS SOLUTIONS CONTAINING SODIUM PERBORATE OR SODIUM PERCARBONATE UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1992-01-22 EP claimed
WO-1991011388-A1 STABILIZATION OF AQUEOUS PEROXYGEN SOLUTIONS UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1991-08-08 WO claimed