SCHEMBL5082244

SCHEMBL5082244

COc1c(Cl)cc(S(=O)(=O)[O-])cc1Cl.[Na+]

nearest known ligand 0.45

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 13)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 known ✓ P35354 9/20 0.45
▸ PTGS1 known ✓ P23219 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ DUSP5 Q16690 2/20 0.37
▸ DUSP6 Q16828 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ TPMT P51580 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL14120915 0.79 PTGS2 (0.44) PTGS2PTGS1ALDH1A1KDM4EGAA
SCHEMBL11856695 0.78 ALDH1A1 (0.46) PTGS2PTGS1ALDH1A1KDM4EGAA
SCHEMBL10498833 0.77 PTGS2 (0.51) PTGS2PTGS1ALDH1A1GAALMNA
SCHEMBL5082248 0.76 ALDH1A1 (0.44) PTGS2PTGS1ALDH1A1KDM4EGAA
SCHEMBL11272595 0.76 F2 (0.44) PTGS2PTGS1ALDH1A1KDM4ELMNA
SCHEMBL31323237 0.74 DUSP5 (0.58) PTGS2PTGS1LMNATDP1DUSP5
SCHEMBL9793056 0.73 LMNA (0.41) ALDH1A1LMNATDP1DUSP5DUSP6
SCHEMBL11366209 0.72 DUSP5 (0.55) PTGS2PTGS1ALDH1A1LMNATDP1
SCHEMBL28561535 0.72 ALDH1A1 (0.50) PTGS2ALDH1A1GAALMNATDP1
SCHEMBL9792853 0.72 LMNA (0.39) ALDH1A1LMNATDP1DUSP5DUSP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497374-B1 FILLER REINFORCED POLYETHER IMIDE RESIN COMPOSITION AND MOLDED ARTICLE THEREOF GEN ELECTRIC (US) 2008-08-13 — — EP disclosed
US-7244778-B2 Filler reinforced polyether imide resin composition and molded article thereof GENERAL ELECTRIC COMPANY (US) 2007-07-17 — — US disclosed
US-20050131105-A1 Filler reinforced polyether imide resin composition and molded article thereof SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2005-06-16 — — US disclosed
EP-1497374-A1 FILLER REINFORCED POLYETHER IMIDE RESIN COMPOSITION AND MOLDED ARTICLE THEREOF GENERAL ELECTRIC COMPANY (US) 2005-01-19 — — EP disclosed
WO-2003087226-A1 FILLER REINFORCED POLYETHER IMIDE RESIN COMPOSITION AND MOLDED ARTICLE THEREOF GENERAL ELECTRIC COMPAMY (US) 2003-10-23 — — WO disclosed
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