SCHEMBL3383187

SCHEMBL3383187

O=S(=O)([O-])c1ccc(S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+].[Na+]

nearest known ligand 0.52

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
PTGS1 known ✓ P23219 1/20 0.39
THRB known ✓ P10828 1/20 0.35
LMNA P02545 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
DUSP5 Q16690 3/20 0.47
POLB P06746 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
MAPT P10636 2/20 0.42
CYP2C9 P11712 2/20 0.42
PKM P14618 2/20 0.42
NFKB1 P19838 2/20 0.42
APEX1 P27695 2/20 0.42
CYP2C19 P33261 2/20 0.42
BRCA1 P38398 2/20 0.42
STAT1 P42224 2/20 0.42
STAT5A P42229 2/20 0.42

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
SCHEMBL11584441 0.83 LMNA (0.50) LMNATDP1DUSP5POLBKMT2A
SCHEMBL30461613 0.79 LMNA (0.47) LMNATDP1DUSP5POLBKMT2A
SCHEMBL3826523 0.79 LMNA (0.47) LMNATDP1DUSP5POLBKMT2A
SCHEMBL7185298 0.79 PTGS1 (0.64) LMNATDP1DUSP5POLBKMT2A
SCHEMBL8772805 0.79 LMNA (0.47) LMNATDP1DUSP5POLBKMT2A
SCHEMBL30125531 0.79 PTGS1 (0.64) LMNATDP1DUSP5POLBKMT2A
SCHEMBL17272167 0.79 DUSP5 (0.54) LMNATDP1DUSP5POLBKMT2A
SCHEMBL713915 0.79 LMNA (0.47) LMNATDP1DUSP5POLBKMT2A
SCHEMBL11296193 0.79 LMNA (0.69) LMNATDP1DUSP5POLBKMT2A
SCHEMBL7098523 0.76 L3MBTL1 (0.45) LMNATDP1POLBKDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2006091-B1 Lithographic printing plate precursor and plate making method FUJIFILM CORP (JP) 2010-12-08 EP disclosed
EP-2006091-A2 Lithographic printing plate precursor and plate making method FUJIFILM Corporation (JP) 2008-12-24 EP disclosed