SCHEMBL3396550

SCHEMBL3396550

Nc1ccc(S(=O)(=O)[O-])c(N)c1.[Na+]

nearest known ligand 0.44

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 0.39
P2RY12 known ✓ Q9H244 1/20 0.39
CA2 known ✓ P00918 2/20 0.38
CA12 known ✓ O43570 1/20 0.38
CA1 known ✓ P00915 1/20 0.38
CA4 known ✓ P22748 1/20 0.38
PTGS1 known ✓ P23219 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 5/20 0.41
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 3/20 0.39
HTR6 P50406 2/20 0.39
CASP1 P29466 2/20 0.39
ALOX15 P16050 2/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL29386214 1.00 L3MBTL1 (0.44) L3MBTL1TSHRTDP1ALDH1A1CYP3A4
SCHEMBL28724094 0.96 L3MBTL1 (0.44) L3MBTL1TSHRTDP1ALDH1A1CYP3A4
Lithium Ion SCHEMBL11426853 0.96 L3MBTL1 (0.44) L3MBTL1TSHRTDP1ALDH1A1CYP3A4
Potassium Ion SCHEMBL29386357 0.96 L3MBTL1 (0.44) L3MBTL1TSHRTDP1ALDH1A1CYP3A4
Potassium Ion SCHEMBL6028409 0.96 L3MBTL1 (0.44) L3MBTL1TSHRTDP1ALDH1A1CYP3A4
Tetramethylammonium Ion SCHEMBL29690735 0.90 L3MBTL1 (0.44) L3MBTL1TSHRTDP1ALDH1A1CYP3A4
SCHEMBL7098523 0.84 L3MBTL1 (0.45) L3MBTL1TSHRTDP1ALDH1A1CYP3A4
SCHEMBL29575161 0.83 TSHR (0.44) L3MBTL1TSHRTDP1ALDH1A1CYP3A4
SCHEMBL713915 0.83 LMNA (0.47) TDP1ALDH1A1CYP3A4HTR6PKM
SCHEMBL30461613 0.83 LMNA (0.47) TDP1ALDH1A1CYP3A4HTR6PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114752035-B High-solid-content aqueous polyurethane dispersion and preparation method and application thereof 浙江大学衢州研究院 2024-07-05 CN claimed
CN-118085801-A Aluminum-silver conductive silica gel for electromagnetic shielding and production process thereof 东莞鸿兴橡塑科技有限公司 2024-05-28 CN claimed
CN-116178984-B Bright yellow reactive dye and preparation method thereof 湖北丽源科技股份有限公司 2024-05-14 CN claimed
CN-117924660-A Preparation method and application of emulsifier applied to acidic resin emulsification 襄阳精信汇明科技股份有限公司 2024-04-26 CN claimed
CN-117887283-A Preparation method of water-soluble yellow reactive dye 浙江劲光实业股份有限公司 2024-04-16 CN claimed
CN-117777754-A Orange reactive dye with high fastness and preparation method thereof 湖北丽源科技股份有限公司 2024-03-29 CN claimed
CN-117619169-A Anion exchange membrane for separating nitrogen and phosphorus ions in water and preparation method thereof 浙江工业大学 2024-03-01 CN claimed
CN-117567874-A Bright yellow reactive dye and preparation method thereof 湖北华丽染料工业有限公司 2024-02-20 CN claimed
CN-117510385-A Chain transfer agent for polycarboxylate superplasticizer, application and preparation method thereof 科之杰新材料集团(贵州)有限公司 2024-02-06 CN claimed
CN-117511487-A Preparation method of PDI (polyurethane) aqueous polyurethane adhesive 甘肃银光聚银化工有限公司 2024-02-06 CN claimed
CN-113563560-A Waterborne polyurethane wet rubbing color fastness improver 江门市弘创新材料有限公司 2021-10-29 CN claimed
CN-113122122-A High-solid-content polyurethane ink resin, preparation method and application thereof 万华化学(北京)有限公司 2021-07-16 CN claimed
CN-212701893-U Efficient tail gas processing apparatus of 2, 4-diaminobenzene sodium sulfonate production usefulness 绍兴上虞联谊化工有限公司 2021-03-16 CN claimed
CN-112300438-A Gas-barrier moisture-permeable film and preparation method and application thereof 中国石油化工股份有限公司 2021-02-02 CN claimed
CN-109679369-B Preparation method of yellow reactive dye 浙江劲光实业股份有限公司 2020-08-04 CN claimed
CN-107814928-B Modified polyisophthaloyl metaphenylene diamine easy to dye by cationic dye and preparation method and application thereof 东华大学 2020-04-21 CN claimed
CN-106380569-B A kind of aqueous polyurethane Anti Glare Coatings material and preparation method thereof 华南理工大学 2019-01-15 CN claimed
CN-107417873-A A kind of aqueous polyurethane dispersion and its non-solvent preparation 中国科学院长春应用化学研究所 2017-12-01 CN claimed
CN-106380569-A Water-based polyurethane anti-glare coating material and preparation method thereof 华南理工大学 2017-02-08 CN claimed
EP-2248860-A1 AN ORANGE ACTIVE DYE AND THE PREPARATION THEREOF Tianjin Dek Chemical Co., Ltd (CN) 2010-11-10 EP claimed