SCHEMBL4654262

SCHEMBL4654262

O=S(=O)([O-])OCCOc1cccc2ccccc12.[Na+]

nearest known ligand 0.54

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 12)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 10/20 0.54
KCNA3 P22001 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HTR1D P28221 2/20 0.50
SLC6A4 P31645 2/20 0.49
HRH1 P35367 1/20 0.49
GPR84 Q9NQS5 1/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL2152712 0.83 HTR1B (0.56) HTR1BKCNA3MEN1KMT2AHTR1D
SCHEMBL11278399 0.83 HTR1B (0.56) HTR1BKCNA3MEN1KMT2AHTR1D
SCHEMBL5289923 0.81 HTR1B (0.77) HTR1BKCNA3MEN1KMT2AHTR1D
SCHEMBL5637449 0.79 HTR1B (0.48) HTR1BKCNA3MEN1KMT2AHTR1D
SCHEMBL28119137 0.78 KMT2A (0.46) HTR1BKCNA3MEN1KMT2AKDM4E
Methane SCHEMBL27611186 0.76 KMT2A (0.45) HTR1BKCNA3MEN1KMT2AKDM4E
Sulfuric Acid SCHEMBL2471561 0.76 HTR1B (0.56) HTR1BKCNA3MEN1KMT2AHTR1D
SCHEMBL8642238 0.76 HTR1B (0.69) HTR1BKCNA3MEN1KMT2AHTR1D
SCHEMBL8674828 0.76 HTR1B (0.69) HTR1BKCNA3MEN1KMT2AHTR1D
SCHEMBL2177350 0.75 HTR1B (0.78) HTR1BKCNA3KMT2AHTR1DSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1571493-B1 Polymerizable composition and lithographic printing plate precursor FUJIFILM CORP (JP) 2015-09-09 EP disclosed
EP-1703330-B1 Plate-making method of negative-working lithographic printing plate precursor FUJIFILM CORP (JP) 2008-11-19 EP disclosed
EP-1571493-A1 Polymerizable composition and lithographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2005-09-07 EP disclosed
EP-1211096-A1 Base material for lithographic printing plate and lithographic printing plate using the same FUJI PHOTO FILM CO., LTD. (JP) 2002-06-05 EP disclosed