SCHEMBL164701

SCHEMBL164701

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

nearest known ligand 0.53

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 0.42
CA12 known ✓ O43570 1/20 0.39
CA1 known ✓ P00915 1/20 0.39
PHLPP2 Q6ZVD8 1/20 0.53
HIF1A Q16665 11/20 0.47
KDM4E B2RXH2 4/20 0.47
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MITF O75030 1/20 0.47
HTT P42858 3/20 0.44
CA9 Q16790 2/20 0.42
TP53 P04637 1/20 0.41
HSP90AA1 P07900 1/20 0.39
SLC2A1 P11166 1/20 0.39
KMT2A Q03164 1/20 0.39
NCOA1 Q15788 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NCOA3 Q9Y6Q9 1/20 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
SCHEMBL30142620 1.00 PHLPP2 (0.53) PHLPP2HIF1AKDM4ELMNASMN1; SMN2
Water SCHEMBL29486368 0.99 PHLPP2 (0.52) PHLPP2HIF1AKDM4ELMNASMN1; SMN2
Hydroxyamine SCHEMBL16653989 0.96 PHLPP2 (0.50) PHLPP2HIF1AKDM4ELMNASMN1; SMN2
SCHEMBL15226561 0.96 PHLPP2 (0.50) PHLPP2HIF1AKDM4ELMNASMN1; SMN2
SCHEMBL164702 0.95 PHLPP2 (0.57) PHLPP2HIF1AKDM4ELMNASMN1; SMN2
Butane SCHEMBL10710653 0.94 PHLPP2 (0.48) PHLPP2HIF1AKDM4ELMNASMN1; SMN2
SCHEMBL30959846 0.94 HIF1A (0.52) PHLPP2HIF1AKDM4ELMNASMN1; SMN2
SCHEMBL29647872 0.94 HIF1A (0.52) PHLPP2HIF1AKDM4ELMNASMN1; SMN2
SCHEMBL6703786 0.94 HIF1A (0.52) PHLPP2HIF1AKDM4ELMNASMN1; SMN2
SCHEMBL21905009 0.93 PHLPP2 (0.55) PHLPP2HIF1AKDM4ELMNASMN1; SMN2

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 1483 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12416570-B2 Measurement of iron in glycol and amine in natural gas processing SAUDI ARABIAN OIL COMPANY (SA) 2025-09-16 US claimed
EP-3708633-B1 METHOD FOR RECOVERY OF CRUDE OIL ECOLAB USA INC (US) 2025-03-19 EP claimed
US-20240328934-A1 MEASUREMENT OF IRON IN GLYCOL AND AMINE IN NATURAL GAS PROCESSING SAUDI ARABIAN OIL COMPANY (SA) 2024-10-03 US claimed
US-20240277846-A1 MAGNETIC BIOMOLECULE-METAL ION SELF-ASSEMBLED COMPLEX FOR TREATMENT KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2024-08-22 US claimed
EP-4417219-A1 MAGNETIC BIOMOLECULE-METAL ION SELF-ASSEMBLED COMPLEX FOR TREATMENT Korea University Research and Business Foundation (KR) 2024-08-21 EP claimed
CN-117169203-A Gel preparation method for fixing and detecting ferrous ion valence state 成都理工大学 2023-12-05 CN claimed
EP-3640627-B1 METHOD FOR REDUCING CORROSION IN AN OIL REFINERY INSTALLATION NALCO CO (US) 2023-07-19 EP claimed
US-20220205902-A1 DETERMINATION OF KINETIC DEGRADATION OF IRON-CARBOHYDRATE COMPLEXES BAXTER INTERNATIONAL, INC. (US) 2022-06-30 US claimed
EP-3245511-B1 METHOD AND KIT FOR DOSING IRON IONS IN LUBRICATING COMPOSITIONS TOTAL MARKETING SERVICES (FR) 2022-06-22 EP claimed
EP-3708633-A1 METHOD FOR RECOVERY OF CRUDE OIL Ecolab USA Inc. (US) 2020-09-16 EP claimed
EP-0522090-A4 RESERVOIR FIBER OPTIC CHEMICAL SENSORS 1993-05-26 EP claimed
EP-0536283-A4 RESERVOIR CHEMICAL SENSORS WITH OPTIONAL REMOVABLE RESERVOIR CELLS 1993-05-26 EP claimed
EP-0536283-A1 RESERVOIR CHEMICAL SENSORS WITH OPTIONAL REMOVABLE RESERVOIR CELLS FIBERCHEM, INC. (US) 1993-04-14 EP claimed
EP-0522090-A1 RESERVOIR FIBER OPTIC CHEMICAL SENSORS FIBERCHEM, INC. (US) 1993-01-13 EP claimed
US-5116759-A Reservoir chemical sensors FIBERCHEM INC. (US) 1992-05-26 US claimed
WO-1992000515-A1 RESERVOIR CHEMICAL SENSORS WITH OPTIONAL REMOVABLE RESERVOIR CELLS FIBERCHEM, INC. (US) 1992-01-09 WO claimed
EP-0453621-A1 Polymer-modified drugs having enhanced biological and pharmacological activities W.R. Grace & Co.-Conn. (US) 1991-10-30 EP claimed
US-5059790-A RESERVOIR FIBER OPTIC CHEMICAL SENSORS FIBERCHEM, INC. (US) 1991-10-22 US claimed
WO-1991015867-A1 RESERVOIR FIBER OPTIC CHEMICAL SENSORS FIBERCHEM, INC. (US) 1991-10-17 WO claimed
US-4308027-A COMPLEXING WITH FERROZINE; COLORIMETRIC ANALYSIS R.C.C. SOCIETA' RICERCHE DI CHIMICA CLINICA S.R.L. (IT) 1981-12-29 US claimed