SCHEMBL6534764

SCHEMBL6534764

O=C([O-])C1(S)Nc2ccccc2S1.[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 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 known ✓ P0DMS8 1/20 0.38
▸ PTGS1 known ✓ P23219 1/20 0.38
▸ PTGS2 known ✓ P35354 1/20 0.38
▸ CYP2C19 P33261 1/20 0.41
▸ GAA P10253 7/20 0.41
▸ MAPT P10636 5/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RUNX1 Q01196 1/20 0.41
▸ CBFB Q13951 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SNCA P37840 3/20 0.38
▸ NOX1 Q9Y5S8 3/20 0.38

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 SCHEMBL809681 0.97 CYP2C19 (0.41) CYP2C19GAAMAPTMEN1KMT2A
SCHEMBL6049892 0.83 CYP2C19 (0.46) CYP2C19GAAMAPTMEN1KMT2A
SCHEMBL28118925 0.70 GAA (0.46) CYP2C19GAAMAPTMEN1KMT2A
SCHEMBL28617832 0.69 CYP2C19 (0.54) CYP2C19GAAMAPTMEN1KMT2A
Zinc Ion SCHEMBL629245 0.68 GAA (0.42) CYP2C19GAAMAPTMEN1KMT2A
SCHEMBL1668654 0.68 POLB (0.35) CYP2C19GAAMAPTMEN1KMT2A
SCHEMBL11341714 0.68 GAA (0.41) CYP2C19GAAMAPTMEN1KMT2A
SCHEMBL28414862 0.68 KMT2A (0.50) CYP2C19GAAMAPTMEN1KMT2A
SCHEMBL10901866 0.67 MEN1 (0.45) CYP2C19GAAMAPTMEN1KMT2A
SCHEMBL10431646 0.67 GAA (0.43) CYP2C19GAAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4039733-A1 METHODS FOR CROSSLINKING POLYMER COMPOSITIONS IN THE PRESENCE OF ATMOSPHERIC OXYGEN Arkema, Inc. (US) 2022-08-10 — — EP disclosed
EP-2970605-B1 METHODS FOR CROSSLINKING POLYMER COMPOSITIONS IN THE PRESENCE OF ATMOSPHERIC OXYGEN ARKEMA INC (US) 2021-12-01 — — EP disclosed
EP-3230356-B1 COMPOSITIONS AND METHODS FOR CROSSLINKING POLYMERS IN THE PRESENCE OF ATMOSPHERIC OXYGEN ARKEMA INC (US) 2021-06-30 — — EP disclosed
US-10563039-B2 Compositions and methods for crosslinking polymers in the presence of atmospheric oxygen ARKEMA INC. (US) 2020-02-18 — — US disclosed
CN-107001685-B Composition and method for crosslinking polymers in the presence of atmospheric oxygen 阿科玛股份有限公司 2019-09-27 — — CN disclosed
EP-3230356-A1 COMPOSITIONS AND METHODS FOR CROSSLINKING POLYMERS IN THE PRESENCE OF ATMOSPHERIC OXYGEN Arkema, Inc. (US) 2017-10-18 — — EP disclosed
US-20170267832-A1 COMPOSITIONS AND METHODS FOR CROSSLINKING POLYMERS IN THE PRESENCE OF ATMOSPHERIC OXYGEN ARKEMA INC. 2017-09-21 — — US disclosed
CN-105189619-B Method for crosslinking polymer compositions in the presence of atmospheric oxygen 阿科玛股份有限公司 2017-08-25 — — CN disclosed
CN-107001685-A Composition and method for crosslinking polymers in the presence of atmospheric oxygen 阿科玛股份有限公司 2017-08-01 — — CN disclosed
US-9644089-B2 Methods for crosslinking polymer compositions in the presence of atmospheric oxygen ARKEMA INC. (US) 2017-05-09 — — US disclosed
US-20160017135-A1 METHODS FOR CROSSLINKING POLYMER COMPOSITIONS IN THE PRESENCE OF ATMOSPHERIC OXYGEN ARKEMA INC. 2016-01-21 — — US disclosed
EP-2970605-A1 METHODS FOR CROSSLINKING POLYMER COMPOSITIONS IN THE PRESENCE OF ATMOSPHERIC OXYGEN Arkema, Inc. (US) 2016-01-20 — — EP disclosed
CN-105189619-A Method for crosslinking polymer compositions in the presence of atmospheric oxygen ARKEMA INC 2015-12-23 — — CN disclosed
WO-2014158665-A1 METHODS FOR CROSSLINKING POLYMER COMPOSITIONS IN THE PRESENCE OF ATMOSPHERIC OXYGEN ARKEMA INC. (US) 2014-10-02 — — WO disclosed
US-20040180985-A1 Tack free surface cures of polymers by organic peroxides in the presence of air ARKEMA INC. 2004-09-16 — — US disclosed
US-6747099-B1 BIS-, TRI- AND HIGHER POLY-MALEIMIDES, SILICONE ELASTOMER, P-PHENYLENEDIAMINE BASED ANTIOZONANTS, SULFUR VULCANIZATION ACCELERANT ATOFINA CHEMICALS, INC. 2004-06-08 — — US disclosed
EP-1149122-A4 TACK FREE SURFACE CURES OF POLYMERS BY ORGANIC PEROXIDES IN THE PRESENCE OF AIR ATOFINA CHEM INC (US) 2003-03-12 — — EP disclosed
CN-1336939-A Tack-free surface curing of polymers by organic peroxides in the presence of air ATOFINA CHEM INC (US) 2002-02-20 — — CN disclosed
EP-1149122-A1 TACK FREE SURFACE CURES OF POLYMERS BY ORGANIC PEROXIDES IN THE PRESENCE OF AIR Atofina Chemicals, Inc. (US) 2001-10-31 — — EP disclosed
WO-2001034680-A1 TACK FREE SURFACE CURES OF POLYMERS BY ORGANIC PEROXIDES IN THE PRESENCE OF AIR ATOFINA CHEMICALS, INC. (US) 2001-05-17 — — WO disclosed
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