SCHEMBL680068

SCHEMBL680068

O=S(=O)([O-])c1ccccc1-c1cccc(Cl)c1Cl.[Na+]

nearest known ligand 0.41

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 18)

geneUniProtsupporting neighboursconfidence
P2RY4 known ✓ P51582 2/20 0.41
CA1 known ✓ P00915 1/20 0.38
CA2 known ✓ P00918 1/20 0.38
PTGS1 known ✓ P23219 1/20 0.36
PTGS2 known ✓ P35354 1/20 0.36
P2RY2 known ✓ P41231 1/20 0.36
P2RY12 known ✓ Q9H244 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.41
PKLR P30613 3/20 0.40
PTGES2 Q9H7Z7 2/20 0.40
TSHR P16473 1/20 0.40
PTPN1 P18031 3/20 0.40
PGAM1 P18669 2/20 0.37
PGR P06401 1/20 0.37
HSD11B1 P28845 3/20 0.37
ACLY P53396 1/20 0.36
AKR1B1 P15121 1/20 0.36
FTO Q9C0B1 1/20 0.36

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
SCHEMBL11473674 0.88 PKLR (0.39) MCOLN3P2RY4PKLRPTGES2TSHR
SCHEMBL583980 0.83 TSHR (0.50) MCOLN3PTGES2TSHRPGRHSD11B1
SCHEMBL29910306 0.82 PKLR (0.52) P2RY4PKLRPTPN1PGAM1P2RY2
SCHEMBL4274718 0.82 PKLR (0.52) P2RY4PKLRPTPN1PGAM1P2RY2
SCHEMBL11775615 0.80 MCOLN3 (0.42) MCOLN3PTGES2TSHRCA1CA2
SCHEMBL1421724 0.78 HSD11B1 (0.48) P2RY4PKLRTSHRPGRHSD11B1
SCHEMBL6908682 0.76 HSD11B1 (0.50) TSHRPGRHSD11B1AKR1B1
SCHEMBL29213550 0.75 PKLR (0.46) PKLRPTPN1CA1CA2PGAM1
SCHEMBL6913303 0.74 HSD11B1 (0.48) TSHRPGRHSD11B1AKR1B1
SCHEMBL6913965 0.74 HSD11B1 (0.48) TSHRPGRHSD11B1AKR1B1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2294139-B1 POLYSILOXANE-POLYCARBONATE COMPOSITIONS, METHOD OF MANUFACTURE, AND ARTICLES FORMED THEREFROM SABIC GLOBAL TECHNOLOGIES BV (NL) 2017-12-27 EP disclosed
EP-2238196-B1 FLAME RETARDANT POLYIMIDE/POLYESTER-POLYCARBONATE COMPOSITIONS, METHODS OF MANUFACTURE, AND ARTICLES FORMED THEREFROM SABIC INNOVATIVE PLASTICS IP (NL) 2013-12-18 EP disclosed
US-8389648-B2 Polysiloxane-polycarbonate compositions, method of manufacture, and articles formed therefrom SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2013-03-05 US disclosed
US-20110288214-A1 POLYSILOXANE-POLYCARBONATE COMPOSITIONS, METHOD OF MANUFACTURE, AND ARTICLES FORMED THEREFROM SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2011-11-24 US disclosed
US-7994254-B2 Polysiloxane-polycarbonate compositions, and related methods and articles SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2011-08-09 US disclosed
EP-2294139-A1 POLYSILOXANE-POLYCARBONATE COMPOSITIONS, METHOD OF MANUFACTURE, AND ARTICLES FORMED THEREFROM SABIC Innovative Plastics IP B.V. (NL) 2011-03-16 EP disclosed
EP-2238196-A2 FLAME RETARDANT POLYIMIDE/POLYESTER-POLYCARBONATE COMPOSITIONS, METHODS OF MANUFACTURE, AND ARTICLES FORMED THEREFROM SABIC Innovative Plastics IP B.V. (NL) 2010-10-13 EP disclosed
US-7732516-B2 Flame retardant polyimide/polyester-polycarbonate compositions, methods of manufacture, and articles formed therefrom SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2010-06-08 US disclosed
US-20090318629-A1 POLYSILOXANE-POLYCARBONATE COMPOSITIONS, AND RELATED METHODS AND ARTICLES SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2009-12-24 US disclosed
WO-2009155013-A1 POLYSILOXANE-POLYCARBONATE COMPOSITIONS, METHOD OF MANUFACTURE, AND ARTICLES FORMED THEREFROM SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2009-12-23 WO disclosed
WO-2009095825-A2 FLAME RETARDANT POLYIMIDE/POLYESTER-POLYCARBONATE COMPOSITIONS, METHODS OF MANUFACTURE, AND ARTICLES FORMED THEREFROM SABIC INNOVATIVE PLASTICS IP B.V. (US) 2009-08-06 WO disclosed
US-20090197999-A1 Flame Retardant Polyimide/Polyester-Polycarbonate Compositions, Methods of Manufacture, and Articles Formed Therefrom SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2009-08-06 US disclosed