SCHEMBL376426

SCHEMBL376426

O=C([O-])c1ccc2ccccc2c1C(=O)[O-].[Na+].[Na+]

nearest known ligand 0.48

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
CA2 known ✓ P00918 1/20 0.39
CA4 known ✓ P22748 1/20 0.39
WDR5 P61964 1/20 0.48
LDHA P00338 1/20 0.47
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.42
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2A6 P11509 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MMP3 P08254 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
Zinc Ion SCHEMBL727543 0.96 WDR5 (0.48) WDR5LDHAALDH1A1KDM4EHPGD
Lithium Ion SCHEMBL5014706 0.96 WDR5 (0.48) WDR5LDHAALDH1A1KDM4EHPGD
SCHEMBL9409022 0.96 WDR5 (0.48) WDR5LDHAALDH1A1KDM4EHPGD
Silver SCHEMBL3147886 0.96 WDR5 (0.48) WDR5LDHAALDH1A1KDM4EHPGD
SCHEMBL8169973 0.96 WDR5 (0.48) WDR5LDHAALDH1A1KDM4EHPGD
SCHEMBL18812859 0.96 WDR5 (0.48) WDR5LDHAALDH1A1KDM4EHPGD
SCHEMBL18812824 0.96 WDR5 (0.48) WDR5LDHAALDH1A1KDM4EHPGD
SCHEMBL847834 0.96 WDR5 (0.48) WDR5LDHAALDH1A1KDM4EHPGD
SCHEMBL11810943 0.96 WDR5 (0.48) WDR5LDHAALDH1A1KDM4EHPGD
SCHEMBL1535436 0.96 WDR5 (0.48) WDR5LDHAALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119775209-A Application and method of fluorescent ionic liquid in detection of nitrophenol isomer 苏州科技大学 2025-04-08 CN claimed
EP-3448924-B1 CONTROLLED POLYMER FOAMING USING A HYBRID NUCLEATING AGENT FORMED FROM A MINERAL AND AN ORGANIC NUCLEATING AGENT IMERYS TALC AMERICA INC (US) 2021-08-18 EP claimed
CN-106928694-B Low-gloss thermoplastic polyurethane composition and preparation method and application thereof 万华化学集团股份有限公司 2020-04-10 CN claimed
US-10479889-B2 Thermoplastic resin composition, molded article made therefrom, and method of preparing the composition SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-11-19 US claimed
US-20170335054-A1 HEAT RESISTANT POLYETHYLENE TEREPHTHALATE AND PROCESS OF MANUFACTURING THEREOF ESTER INDUSTRIES LIMITED (IN) 2017-11-23 US claimed
WO-2017189128-A1 CONTROLLED POLYMER FOAMING USING A HYBRID NUCLEATING AGENT FORMED FROM A MINERAL AND AN ORGANIC NUCLEATING AGENT IMERYS TALC AMERICA, INC. (US) 2017-11-02 WO claimed
US-9790321-B2 Heat resistant polyethylene terephthalate and a process for the preparation of the same ESTER INDUSTRIES LIMITED (IN) 2017-10-17 US claimed
EP-3221400-A2 HEAT RESISTANT POLYETHYLENE TEREPHTHALATE AND PROCESS OF MANUFACTURING THEREOF Ester Industries Limited (IN) 2017-09-27 EP claimed
US-20160185954-A1 THERMOPLASTIC RESIN COMPOSITION, MOLDED ARTICLE MADE THEREFROM, AND METHOD OF PREPARING THE COMPOSITION SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-06-30 US claimed
EP-1114095-B1 NUCLEATING AGENT FOR POLYESTERS DU PONT (US) 2003-06-04 EP claimed
EP-1114095-A1 NUCLEATING AGENT FOR POLYESTERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-07-11 EP claimed
US-6245844-B1 MONO-SODIUM SALT OF A DICARBOXYLIC ACID E. I. DU PONT DE NEMOURS AND COMPANY 2001-06-12 US claimed
WO-2000017265-A1 NUCLEATING AGENT FOR POLYESTERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-03-30 WO claimed
CN-119775209-A Application and method of fluorescent ionic liquid in detection of nitrophenol isomer 苏州科技大学 2025-04-08 CN disclosed
CN-119775209-A Application and method of fluorescent ionic liquid in detection of nitrophenol isomer 苏州科技大学 2025-04-08 CN disclosed
CN-119505192-A Polyester resin, polyester resin composition and molded product thereof 东丽先端材料研究开发(中国)有限公司 2025-02-25 CN disclosed
EP-0268765-B1 RESIN COMPRISING A POLYPHENYLENE SULFIDE/POLYPHENYLENE SULFONE BLOCK COPOLYMER, PROCESS FOR PREPARING THE COPOLYMER AND MOLDED ARTICLE DAINIPPON INK AND CHEMICALS, INC. (JP) 1993-04-14 EP disclosed
US-4960861-A REACTING POLYHALOAROMATIC WITH SULFIDIZING AGENT; SOLVENTS AND ADDITIVE TO SEPARATE HIGH AND LOW MOLECULA WEIGHT POLYMERS DAINIPPON INK AND CHEMICALS, INC. (JP) 1990-10-02 US disclosed
US-4960841-A REACTING A PREPOLYMER WITH A MIXTURE OF A DIHALODIPHENYL-SULFONE OR A HALOGENATED AROMATIC COMPOUND AND A SULFIDIZATION AGENT IN A POLAR SOLVENT DAINIPPON INK AND CHEMICALS, INC. (JP) 1990-10-02 US disclosed
EP-0268765-A2 Resin comprising a polyphenylene sulfide/polyphenylene sulfone block copolymer, process for preparing the copolymer and molded article DAINIPPON INK AND CHEMICALS, INC. (JP) 1988-06-01 EP disclosed