SCHEMBL28073756

SCHEMBL28073756

Nc1cc(S(=O)(=O)[O-])ccc1O.[Na+]

nearest known ligand 0.70

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
CA12 known ✓ O43570 2/20 0.70
CA1 known ✓ P00915 2/20 0.70
CA2 known ✓ P00918 2/20 0.70
THRB known ✓ P10828 2/20 0.46
PTGS1 known ✓ P23219 1/20 0.42
GAA P10253 4/20 0.70
MAPT P10636 3/20 0.70
CA9 Q16790 2/20 0.70
ALDH1A1 P00352 5/20 0.68
HSD17B10 Q99714 5/20 0.68
KMT2A Q03164 3/20 0.47
POLB P06746 1/20 0.47
APOBEC3A P31941 1/20 0.47
CASP6 P55212 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
PTPN1 P18031 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
PKM P14618 1/20 0.47

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
Potassium Ion SCHEMBL28382452 0.96 GAA (0.70) GAAMAPTCA12CA1CA2
SCHEMBL1732796 0.83 GAA (1.00) GAAMAPTCA12CA1CA2
SCHEMBL29871288 0.83 GAA (1.00) GAAMAPTCA12CA1CA2
SCHEMBL109925 0.83 GAA (1.00) GAAMAPTCA12CA1CA2
SCHEMBL29363328 0.83 GAA (1.00) GAAMAPTCA12CA1CA2
SCHEMBL3317877 0.83 CA2 (1.00) GAAMAPTCA12CA1CA2
Hydrochloric Acid SCHEMBL28556898 0.81 GAA (0.96) GAAMAPTCA12CA1CA2
SCHEMBL29939025 0.81 ALDH1A1 (1.00) GAAMAPTCA12CA1CA2
SCHEMBL156846 0.81 ALDH1A1 (1.00) GAAMAPTCA12CA1CA2
Hydrochloric Acid SCHEMBL9447766 0.81 GAA (0.96) GAAMAPTCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118056909-A Saliva glucose detection test strip capable of prolonging room temperature preservation time, preparation method and application thereof 中科康磁医疗科技(苏州)有限公司 2024-05-21 CN claimed
CN-115058137-A Photocuring stainless steel powder slurry 扬州海昌新材股份有限公司 2022-09-16 CN claimed
CN-111925494-B High-viscosity waterborne polyurethane and preparation method thereof 温州大学新材料与产业技术研究院 2021-12-14 CN claimed
CN-111925494-A High-viscosity waterborne polyurethane and preparation method thereof 温州大学新材料与产业技术研究院 2020-11-13 CN claimed
CN-111048676-A Perovskite luminescent layer, preparation method thereof, luminescent device and display device 京东方科技集团股份有限公司 2020-04-21 CN claimed
CN-105694838-A Surfactant acid-proof thickener and use method thereof 陕西友邦石油工程技术有限公司 2016-06-22 CN claimed
CN-118056909-A Saliva glucose detection test strip capable of prolonging room temperature preservation time, preparation method and application thereof 中科康磁医疗科技(苏州)有限公司 2024-05-21 CN disclosed
CN-115058137-A Photocuring stainless steel powder slurry 扬州海昌新材股份有限公司 2022-09-16 CN disclosed
CN-111925494-B High-viscosity waterborne polyurethane and preparation method thereof 温州大学新材料与产业技术研究院 2021-12-14 CN disclosed
CN-108752242-B Sulfonation method for low electron cloud density aromatic hydrocarbon 金华双宏化工有限公司 2021-01-01 CN disclosed
CN-111925494-A High-viscosity waterborne polyurethane and preparation method thereof 温州大学新材料与产业技术研究院 2020-11-13 CN disclosed
CN-111048676-A Perovskite luminescent layer, preparation method thereof, luminescent device and display device 京东方科技集团股份有限公司 2020-04-21 CN disclosed
CN-105694838-A Surfactant acid-proof thickener and use method thereof 陕西友邦石油工程技术有限公司 2016-06-22 CN disclosed
CN-105694838-A Surfactant acid-proof thickener and use method thereof 陕西友邦石油工程技术有限公司 2016-06-22 CN disclosed