SCHEMBL8600464

SCHEMBL8600464

O=S(=O)(O)CCN([O-])CCS(=O)(=O)O.O=S(=O)(O)CCN([O-])CCS(=O)(=O)O.[Na+].[Na+]

nearest known ligand 0.39

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 11)

geneUniProtsupporting neighboursconfidence
PTGS1 known ✓ P23219 1/20 0.39
PDE4A known ✓ P27815 1/20 0.39
LMNA P02545 1/20 0.39
SLC6A6 P31641 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.39
APP P05067 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8042592 1.00 PTGS1 (0.39) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL28799710 0.79 PTGS1 (0.36) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL10358209 0.73 PTGS1 (0.45) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL30567345 0.71 PTGS1 (0.56) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL7997869 0.71
SCHEMBL1167764 0.71 PTGS1 (0.43) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL8042605 0.70 KDM4E (0.37) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL1191477 0.69
SCHEMBL226337 0.69 PTGS1 (0.41) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL3379284 0.69

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-0713139-B1 Novel, iron complex, process for producing the same, photographic processing composition and processing process using the same FUJI PHOTO FILM CO LTD (JP) 1998-06-03 EP disclosed
EP-0544319-B1 Silver halide color photographic light-sensitive material FUJI PHOTO FILM CO LTD (JP) 1998-02-04 EP disclosed
EP-0713139-A1 Novel, iron complex, process for producing the same, photographic processing composition and processing process using the same FUJI PHOTO FILM CO., LTD. (JP) 1996-05-22 EP disclosed
EP-0544319-A1 Silver halide color photographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 1993-06-02 EP disclosed