SCHEMBL31323345

SCHEMBL31323345

O=S(=O)([O-])c1ccc2cccccc1-2.[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 16)

geneUniProtsupporting neighboursconfidence
PTGS2 known ✓ P35354 8/20 0.52
CA12 known ✓ O43570 2/20 0.42
CA1 known ✓ P00915 2/20 0.42
CA2 known ✓ P00918 2/20 0.42
PTGS1 known ✓ P23219 3/20 0.40
PKLR P30613 3/20 0.44
CA9 Q16790 2/20 0.42
PTPN1 P18031 3/20 0.41
PGAM1 P18669 2/20 0.41
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BCAT2 O15382 1/20 0.39
MET P08581 1/20 0.39
HGF P14210 1/20 0.39
AKR1B1 P15121 1/20 0.39
FTO Q9C0B1 1/20 0.39

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
SCHEMBL310987 1.00 PTGS2 (0.52) PTGS2PKLRCA12CA1CA2
SCHEMBL28227505 1.00 PTGS2 (0.52) PTGS2PKLRCA12CA1CA2
Water SCHEMBL15672825 0.98 PTGS2 (0.50) PTGS2PKLRCA12CA1CA2
Water SCHEMBL31291030 0.98 PTGS2 (0.50) PTGS2PKLRCA12CA1CA2
Potassium Ion SCHEMBL14740336 0.96 PTGS2 (0.52) PTGS2PKLRCA12CA1CA2
SCHEMBL1870051 0.94 PTGS2 (0.48) PTGS2PKLRCA12CA1CA2
SCHEMBL29194064 0.94 PTGS2 (0.48) PTGS2PKLRCA12CA1CA2
SCHEMBL31276980 0.94 PTGS2 (0.48) PTGS2PKLRCA12CA1CA2
SCHEMBL28177146 0.91 PTGS2 (0.44) PTGS2PKLRCA12CA1CA2
Lithium Ion SCHEMBL3173871 0.89 PTGS2 (0.48) PTGS2PKLRCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3381448-B1 ORAL HEMOSTATIC AND WOUND-PROTECTIVE FILM TBM COMPANY (KR) 2025-01-01 EP disclosed