SCHEMBL6231168

SCHEMBL6231168

O=C([O-])c1ccc(Cl)cc1Cl.[Na+]

nearest known ligand 0.63

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
▸ CA1 known ✓ P00915 2/20 0.50
▸ CA2 known ✓ P00918 2/20 0.50
▸ THRB known ✓ P10828 1/20 0.47
▸ TSHR P16473 1/20 0.63
▸ CASP1 P29466 1/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ ALDH1A1 P00352 4/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ MAPT P10636 3/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ ERCC5 P28715 1/20 0.55
▸ FEN1 P39748 1/20 0.55
▸ FLT1 P17948 2/20 0.50
▸ FLT4 P35916 2/20 0.50
▸ KDR P35968 2/20 0.50
▸ SRD5A2 P31213 1/20 0.50
▸ POLB P06746 3/20 0.47
▸ RECQL P46063 1/20 0.47
▸ TDP1 Q9NUW8 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
SCHEMBL29653755 1.00 TSHR (0.63) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
Silver SCHEMBL1151256 0.96 TSHR (0.63) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL11269243 0.96 TSHR (0.63) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
Potassium Ion SCHEMBL1303475 0.96 TSHR (0.63) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL4446245 0.84 CA1 (0.52) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL8822154 0.83 CA1 (0.50) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL28343765 0.83 ALDH1A1 (0.63) TSHRCASP1SMN1; SMN2ALDH1A1MAPT
SCHEMBL31384757 0.81 CA2 (0.54) TSHRCASP1SMN1; SMN2KDM4ECA1
SCHEMBL28510712 0.80 ALDH1A1 (0.48) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL30185351 0.79 SMN1; SMN2 (0.71) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115433069-A Preparation method of 2, 4-dichlorobenzaldehyde 柳州东风容泰化工股份有限公司 2022-12-06 — — CN claimed
EP-1214378-B1 FLAME RETARDANT POLYCARBONATE COMPOSITION BAYER AG (US) 2005-04-06 — — EP claimed
EP-1214378-A1 FLAME RETARDANT POLYCARBONATE COMPOSITION Bayer Corporation (US) 2002-06-19 — — EP claimed
WO-2001010957-A1 FLAME RETARDANT POLYCARBONATE COMPOSITION BAYER CORPORATION (US) 2001-02-15 — — WO claimed
US-6180702-B1 A BLENDS COMPRISING POLYALKYL METHACRYLATE WITH FLUORINATED POLYOLEFIN, AND THE SALT SELECT FROM AN ALKALI METAL OR ALKALINE EARTH METAL SALT OF PERFLUOROALKANE SULFONIC ACID, AROMATIC SULFIMIDE, OR AROMATIC SULFONIC ACID BAYER CORPORATION 2001-01-30 — — US claimed
CN-115433069-A Preparation method of 2, 4-dichlorobenzaldehyde 柳州东风容泰化工股份有限公司 2022-12-06 — — CN disclosed
US-11472099-B2 Method for producing an object by means of an additive manufacturing process using a polycarbonate building material with improved flowability COVESTRO DEUTSCHLAND AG (DE) 2022-10-18 — — US disclosed
CN-110267798-B Method of manufacturing an object by additive manufacturing using a polycarbonate build material having improved flow capability 科思创德国股份有限公司 2022-05-27 — — CN disclosed
CN-112851495-A Treatment method of paste diacyl peroxide 常熟市滨江化工有限公司 2021-05-28 — — CN disclosed
CN-107207864-B Flame-resistant moulding compositions containing glass fibres, containing silicone-containing polycarbonate block cocondensates 科思创德国股份有限公司 2021-03-02 — — CN disclosed
CN-107207863-B Flame-resistant moulding compositions containing silicone-containing polycarbonate block cocondensates 科思创德国股份有限公司 2021-02-19 — — CN disclosed
EP-3582955-B1 METHOD FOR MANUFACTURING AN OBJECT BY MEANS OF AN ADDITIVE PRODUCTION PROCESS USING A POLYCARBONATE CONSTRUCTION MATERIAL WITH IMPROVED FLOWABILITY COVESTRO DEUTSCHLAND AG (DE) 2020-12-23 — — EP disclosed
EP-0092581-B1 FRICTION REDUCTION USING A VISCOELASTIC SURFACTANT THE DOW CHEMICAL COMPANY (US) 1986-10-22 — — EP disclosed
US-4615825-A FOR FLOWING AQUEOUS LIQUIDS THE DOW CHEMICAL COMPANY (US) 1986-10-07 — — US disclosed
US-4534875-A REACTION PRODUCT OF HYDROPHOBIC HYDROPHILIC SURFACTANT AND ELECTROLYTE THE DOW CHEMICAL COMPANY (US) 1985-08-13 — — US disclosed
WO-1985003083-A1 A METHOD FOR CONTROLLING THE OVERALL HEAT TRANSFER COEFFICIENT OF A HEAT EXCHANGE FLUID THE DOW CHEMICAL COMPANY (US) 1985-07-18 — — WO disclosed
EP-0092581-A4 FRICTION REDUCTION USING A VISCOELASTIC SURFACTANT. DOW CHEMICAL CO (US) 1984-03-29 — — EP disclosed
EP-0092581-A1 FRICTION REDUCTION USING A VISCOELASTIC SURFACTANT. DOW CHEMICAL CO (US) 1983-11-02 — — EP disclosed
WO-1983001583-A1 FRICTION REDUCTION USING A VISCOELASTIC SURFACTANT DOW CHEMICAL CO (US) 1983-05-11 — — WO disclosed
US-4208489-A AN ALKALI METAL SALT AND A TETRAHALOGENOPHTHALIMIDE BAYER AKTIENGESELLSCHAFT (DE) 1980-06-17 — — US disclosed
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