SCHEMBL29647872

SCHEMBL29647872

O=S(=O)([O-])c1ccc(-c2nnc(-c3ccccn3)nc2-c2ccc(S(=O)(=O)[O-])cc2)cc1.[Na+].[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 19)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 2/20 0.46
CA12 known ✓ O43570 1/20 0.43
CA1 known ✓ P00915 1/20 0.43
HIF1A Q16665 10/20 0.52
KDM4E B2RXH2 5/20 0.52
LMNA P02545 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
MITF O75030 1/20 0.52
PHLPP2 Q6ZVD8 1/20 0.49
HTT P42858 3/20 0.49
CA9 Q16790 2/20 0.46
TP53 P04637 1/20 0.46
TDP1 Q9NUW8 2/20 0.43
HSP90AA1 P07900 1/20 0.43
SLC2A1 P11166 1/20 0.43
KMT2A Q03164 1/20 0.43
NCOA1 Q15788 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43

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
SCHEMBL6703786 1.00 HIF1A (0.52) HIF1AKDM4ELMNASMN1; SMN2MITF
SCHEMBL30959846 1.00 HIF1A (0.52) HIF1AKDM4ELMNASMN1; SMN2MITF
SCHEMBL27180519 0.99 HIF1A (0.51) HIF1AKDM4ELMNASMN1; SMN2MITF
SCHEMBL164701 0.94 PHLPP2 (0.53) HIF1AKDM4ELMNASMN1; SMN2MITF
SCHEMBL30142620 0.94 PHLPP2 (0.53) HIF1AKDM4ELMNASMN1; SMN2MITF
Water SCHEMBL29486368 0.93 PHLPP2 (0.52) HIF1AKDM4ELMNASMN1; SMN2MITF
SCHEMBL15226561 0.91 PHLPP2 (0.50) HIF1AKDM4ELMNASMN1; SMN2MITF
Hydroxyamine SCHEMBL16653989 0.91 PHLPP2 (0.50) HIF1AKDM4ELMNASMN1; SMN2MITF
Butane SCHEMBL10710653 0.89 PHLPP2 (0.48) HIF1AKDM4ELMNASMN1; SMN2MITF
SCHEMBL164702 0.88 PHLPP2 (0.57) HIF1AKDM4ELMNASMN1; SMN2MITF

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-3708633-B1 METHOD FOR RECOVERY OF CRUDE OIL ECOLAB USA INC (US) 2025-03-19 EP claimed
EP-3640627-B1 METHOD FOR REDUCING CORROSION IN AN OIL REFINERY INSTALLATION NALCO CO (US) 2023-07-19 EP claimed
EP-3245511-B1 METHOD AND KIT FOR DOSING IRON IONS IN LUBRICATING COMPOSITIONS TOTAL MARKETING SERVICES (FR) 2022-06-22 EP claimed
WO-2025026555-A1 ALDOXIMES AS NO DONORS, AND THEIR USES AS PLANT ARCHITECTURE MODIFIERS AND IN THERAPY Universidad Pública de Navarra (ES) 2025-02-06 WO disclosed
US-20240425900-A1 METHODS FOR DETERMINING AND/OR MONITORING THE HEALTH STATUS OF FISH WELLFISH TECH LIMITED (GB) 2024-12-26 US disclosed
US-12161683-B2 Method for improving gut microbiota with lactiplantibacillus plantarum TCI837 TCI CO., LTD. (TW) 2024-12-10 US disclosed
US-20240016864-A1 METHOD FOR IMPROVING GUT MICROBIOTA WITH LACTIPLANTIBACILLUS PLANTARUM TCI837 TCI CO., LTD. (TW) 2024-01-18 US disclosed
US-11857583-B2 Lactiplantibacillus plantarum TCI837, methods for using the same, and iron supplement composition having the same TCI CO., LTD. (TW) 2024-01-02 US disclosed
EP-3775302-B1 RECOVERY OF METALS FROM INDUSTRIAL WASTEWATER OF LOW METAL CONCENTRATION HELMHOLTZ ZENTRUM DRESDEN (DE) 2023-08-30 EP disclosed
US-20230210922-A1 LACTIPLANTIBACILLUS PLANTARUM TCI837, METHODS FOR USING THE SAME, AND IRON SUPPLEMENT COMPOSITION HAVING THE SAME TCI CO., LTD. (TW) 2023-07-06 US disclosed
CN-109843896-B Hydroxycinnamic acid derivatives, methods and uses thereof 波尔图大学 2022-12-20 CN disclosed
WO-2022185123-A1 ALPHA-1 ANTITRYPSIN DOSING REGIMEN GRIFOLS WORLDWIDE OPERATIONS LIMITED (IE) 2022-09-09 WO disclosed
CN-115003297-A Methods of treatment using vardendox 阿克比治疗有限公司 2022-09-02 CN disclosed