SCHEMBL5138441

SCHEMBL5138441

O=S(=O)([O-])c1cc(Br)cs1.[Na+]

nearest known ligand 0.37

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 9)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 2/20 0.30
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
ACLY P53396 1/20 0.34
PLCG1 P19174 1/20 0.32
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GSK3B P49841 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL21051890 0.77 CA2 (0.41) LMNATDP1CA2
SCHEMBL2180225 0.74 CES2 (0.38) CES2CES1ACLYLMNAALDH1A1
SCHEMBL1416183 0.74 CES2 (0.38) CES2CES1ACLYLMNAALDH1A1
SCHEMBL9349995 0.72 PLCG1 (0.31) CES2CES1ACLYPLCG1LMNA
SCHEMBL23569834 0.71 CA2 (0.36) CES2CES1ACLYLMNAALDH1A1
SCHEMBL28360176 0.71 TDP1 (0.34) TDP1
SCHEMBL29222351 0.71 CA2 (0.44) ALDH1A1CA2
SCHEMBL29222352 0.71 NR1I2 (0.37) LMNAALDH1A1TDP1CA2
SCHEMBL12674291 0.70 CES2 (0.34) CES2CES1ACLYCA2
SCHEMBL12666578 0.70 L3MBTL1 (0.48) CES2CES1ACLYLMNAALDH1A1

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