SCHEMBL19915134

SCHEMBL19915134

C=Cc1ccc(S(=O)(=O)[O-])cc1.C=Cc1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+]

nearest known ligand 0.61

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
PTGS2 known ✓ P35354 4/20 0.32
CA1 known ✓ P00915 1/20 0.31
CA2 known ✓ P00918 1/20 0.31
TDP1 Q9NUW8 2/20 0.61
ALDH1A1 P00352 3/20 0.52
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.40
PLCG1 P19174 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
MDM2 Q00987 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTPN1 P18031 3/20 0.33

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
SCHEMBL94887 1.00 TDP1 (0.61) TDP1ALDH1A1TSHRLMNAPLCG1
SCHEMBL6035161 0.98 TDP1 (0.59) TDP1ALDH1A1TSHRLMNAPLCG1
Water SCHEMBL2898586 0.98 TDP1 (0.59) TDP1ALDH1A1TSHRLMNAPLCG1
Water SCHEMBL17044655 0.98 TDP1 (0.59) TDP1ALDH1A1TSHRLMNAPLCG1
SCHEMBL2025169 0.95 TDP1 (0.61) TDP1ALDH1A1TSHRLMNAPLCG1
SCHEMBL2023060 0.95 TDP1 (0.61) TDP1ALDH1A1TSHRLMNAPLCG1
Potassium Ion SCHEMBL331671 0.95 TDP1 (0.61) TDP1ALDH1A1TSHRLMNAPLCG1
SCHEMBL5621482 0.95 TDP1 (0.61) TDP1ALDH1A1TSHRLMNAPLCG1
SCHEMBL17476623 0.95 TDP1 (0.61) TDP1ALDH1A1TSHRLMNAPLCG1
SCHEMBL2024117 0.95 TDP1 (0.61) TDP1ALDH1A1TSHRLMNAPLCG1

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
CN-117452532-A Article comprising conformal optical sheet VIAVI科技有限公司 2024-01-26 CN disclosed
US-9908819-B1 Printing method for production a ceramic green body WZR ceramic solutions GmbH (DE) 2018-03-06 US disclosed