SCHEMBL4455864

SCHEMBL4455864

O=S(=O)([O-])CCN1CCN(CCS(=O)(=O)[O-])CC1.[Na+].[Na+]

nearest known ligand 0.42

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
ALOX15 P16050 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 2/20 0.39
TSHR P16473 2/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
THPO P40225 1/20 0.39
HBB P68871 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ENPEP Q07075 2/20 0.32
BBOX1 O75936 2/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
POLB P06746 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
Water SCHEMBL9983319 0.97 MAPT (0.40) ALOX15MAPTKDM4EALDH1A1MAPK1
Potassium Ion SCHEMBL9897196 0.95 ALOX15 (0.36) ALOX15MAPTKDM4EALDH1A1MAPK1
SCHEMBL8536587 0.95 ALOX15 (0.36) ALOX15MAPTKDM4EALDH1A1MAPK1
SCHEMBL5447715 0.89 KDM4E (0.34) ALOX15MAPTKDM4EALDH1A1MAPK1
SCHEMBL229142 0.89 ALDH1A1 (0.42) ALOX15MAPTKDM4EALDH1A1MAPK1
SCHEMBL3904265 0.89 ALDH1A1 (0.42) ALOX15MAPTKDM4EALDH1A1MAPK1
SCHEMBL30743597 0.89 KDM4E (0.34) ALOX15MAPTKDM4EALDH1A1MAPK1
Hydrochloric Acid SCHEMBL934319 0.87 ALDH1A1 (0.41) ALOX15MAPTKDM4EALDH1A1TSHR
Water SCHEMBL1121994 0.87 ALDH1A1 (0.41) ALOX15MAPTKDM4EALDH1A1MAPK1
SCHEMBL14894927 0.84 ALDH1A1 (0.42) MAPTKDM4EALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4611104-A1 NON-AQUEOUS ELECTROLYTE, SODIUM-ION BATTERY CONTAINING SAME, AND ELECTRICAL APPARATUS Contemporary Amperex Technology (Hong Kong) Limited (HK) 2025-09-03 EP claimed
US-20250219149-A1 NON-AQUEOUS ELECTROLYTE AND SODIUM-ION BATTERY AND ELECTRIC APPARATUS INCLUDING SUCH ELECTROLYTE CONTEMPORARY AMPEREX TECHNOLOGY (HONG KONG) LIMITED (CN) 2025-07-03 US claimed
EP-4611104-A1 NON-AQUEOUS ELECTROLYTE, SODIUM-ION BATTERY CONTAINING SAME, AND ELECTRICAL APPARATUS Contemporary Amperex Technology (Hong Kong) Limited (HK) 2025-09-03 EP disclosed
US-20250219149-A1 NON-AQUEOUS ELECTROLYTE AND SODIUM-ION BATTERY AND ELECTRIC APPARATUS INCLUDING SUCH ELECTROLYTE CONTEMPORARY AMPEREX TECHNOLOGY (HONG KONG) LIMITED (CN) 2025-07-03 US disclosed
US-20250003994-A1 DEVICE AND METHOD FOR TREATING TISSUE OXYGEN DEFICIENT CONDITIONS IP SCIENCE LTD (GB) 2025-01-02 US disclosed
US-20240384293-A1 VIRAL VECTOR PRODUCTION SYSTEM NOVARTIS PHARMA AG (CH) 2024-11-21 US disclosed
EP-4437340-A1 DEVICE AND METHOD FOR TREATING TISSUE OXYGEN DEFICIENT CONDITIONS IP Science Limited (GB) 2024-10-02 EP disclosed
CN-118028911-A Novel cyanide-free environment-friendly electroforming process for gold jewelry 东莞市利达黄金精炼有限公司 2024-05-14 CN disclosed
EP-4330381-A1 VIRAL VECTOR PRODUCTION SYSTEM Novartis AG (CH) 2024-03-06 EP disclosed
WO-2023142797-A1 PREPARATION PROCESS FOR SULFONIC ACID-CONTAINING COMPOUND 苏州亚科科技股份有限公司 2023-08-03 WO disclosed
WO-2023095140-A1 DEVICE AND METHOD FOR TREATING TISSUE OXYGEN DEFICIENT CONDITIONS IP SCIENCE LIMITED (GB) 2023-06-01 WO disclosed
US-5723595-A DNA SEQUENCE CODES AND ENZYMES CALGENE, INC. (US) 1998-03-03 US disclosed
US-5510255-A POLYPEPTIDE MONSANTO COMPANY 1996-04-23 US disclosed
US-5475099-A Nucleic acid sequence encoding Ricinus or Brassica beta-ketoacyl-ACP synthase factor A or B protein CALGENE INC. (US) 1995-12-12 US disclosed
EP-0495096-A4 PLANT FATTY ACID SYNTHASES 1993-06-09 EP disclosed
EP-0495096-A1 PLANT FATTY ACID SYNTHASES CALGENE, INC. (US) 1992-07-22 EP disclosed
EP-0472722-A4 PLANT DESATURASES - COMPOSITIONS AND USES 1992-07-08 EP disclosed
WO-1992003564-A1 PLANT FATTY ACID SYNTHASES CALGENE, INC. (US) 1992-03-05 WO disclosed
EP-0472722-A1 PLANT DESATURASES - COMPOSITIONS AND USES CALGENE, INC. (US) 1992-03-04 EP disclosed
WO-1991013972-A1 PLANT DESATURASES - COMPOSITIONS AND USES CALGENE, INC. (US) 1991-09-19 WO disclosed