SCHEMBL753630

SCHEMBL753630

O=S(=O)([O-])c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)ccnc3c2n1.[Na+]

nearest known ligand 0.40

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
SCN5A known ✓ Q14524 1/20 0.34
SCN9A known ✓ Q15858 1/20 0.34
GLO1 Q04760 2/20 0.40
CKS1B P61024 7/20 0.40
SKP2 Q13309 7/20 0.40
TOP2A P11388 1/20 0.39
MMP2 P08253 2/20 0.38
NR1H2 P55055 5/20 0.36
NR1H3 Q13133 5/20 0.36
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35
IGF1R P08069 1/20 0.35
FGFR1 P11362 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
SCHEMBL3369301 1.00 GLO1 (0.40) GLO1CKS1BSKP2TOP2AMMP2
SCHEMBL8143771 0.99 GLO1 (0.39) GLO1CKS1BSKP2TOP2AMMP2
SCHEMBL5694613 0.97 GLO1 (0.40) GLO1CKS1BSKP2TOP2AMMP2
SCHEMBL9628172 0.97 GLO1 (0.40) GLO1CKS1BSKP2TOP2AMMP2
Lithium Ion SCHEMBL5694584 0.97 GLO1 (0.40) GLO1CKS1BSKP2TOP2AMMP2
Potassium Ion SCHEMBL5694612 0.97 GLO1 (0.40) GLO1CKS1BSKP2TOP2AMMP2
SCHEMBL10979738 0.96 GLO1 (0.39) GLO1CKS1BSKP2TOP2AMMP2
SCHEMBL2392734 0.85 TOP2A (0.43) GLO1CKS1BSKP2TOP2AMMP2
SCHEMBL93351 0.78 CKS1B (0.37) GLO1CKS1BSKP2TOP2AMMP2
SCHEMBL1226790 0.77 TOP1 (0.53) TOP2AIKBKBCHUKDAPK3JAK2

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399498-B1 MELT POLYCARBONATE CATALYST SYSTEMS GEN ELECTRIC (US) 2006-06-21 EP claimed
EP-1399498-A2 MELT POLYCARBONATE CATALYST SYSTEMS GENERAL ELECTRIC COMPANY (US) 2004-03-24 EP claimed
WO-2002055582-A2 MELT POLYCARBONATE CATALYST SYSTEMS GENERAL ELECTRIC COMPANY (US) 2002-07-18 WO claimed
US-6303737-B1 POLYCONDENSATION CATALYSTS WHICH ARE SALTS OF CERTAIN PHENANTHROLINE COMPOUNDS; EXCELLENT POLYMERIZATION RATES; REDUCING THE LEVEL OF BRANCHING SIDE REACTION, I.E., FORMATION OF FRIES PRODUCT GENERAL ELECTRIC COMPANY 2001-10-16 US claimed
CN-105492575-B Electroneutral metal complex as biomarker 联吡啶钌科学公司 2019-01-22 CN disclosed
US-9448244-B2 Compound, and method for measuring iron concentration by using novel compound as chelate color former WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2016-09-20 US disclosed
CN-105492575-A Electronically neutral metal complexes as biological labels RUBIPY SCIENT INC 2016-04-13 CN disclosed
EP-2305803-B1 THERMOSTABLE 1,5-ANHYDROGLUCITOL DEHYDROGENASE, AND METHOD FOR MEASUREMENT OF 1,5-ANHYDROGLUCITOL BY USING THE SAME NIPPON KAYAKU KK (JP) 2015-11-25 EP disclosed
US-20150260734-A1 NOVEL COMPOUND, AND METHOD FOR MEASURING IRON CONCENTRATION BY USING NOVEL COMPOUND AS CHELATE COLOR FORMER WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2015-09-17 US disclosed
EP-2910607-A1 NOVEL COMPOUND, AND METHOD FOR MEASURING IRON CONCENTRATION BY USING NOVEL COMPOUND AS CHELATE COLOR FORMER WAKO PURE CHEMICAL INDUSTRIES LIMITED (JP) 2015-08-26 EP disclosed
US-8574882-B2 Thermostable 1,5-anhydroglucitol dehydrogenase, and method for measurement of 1,5-anhydroglucitol by using the same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-11-05 US disclosed
US-8465940-B2 Method for electrochemically measuring 1,5-anhydroglucitol in whole blood NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-06-18 US disclosed
US-20050107870-A1 Medical device with multiple coating layers BIOPHAN TECHNOLOGIES, INC. 2005-05-19 US disclosed
US-20050079132-A1 Medical device with low magnetic susceptibility BIOPHAN TECHNOLOGIES, INC. 2005-04-14 US disclosed
US-20050025797-A1 Medical device with low magnetic susceptibility BIOPHAN TECHNOLOGIES, INC. 2005-02-03 US disclosed
EP-1399498-A2 MELT POLYCARBONATE CATALYST SYSTEMS GENERAL ELECTRIC COMPANY (US) 2004-03-24 EP disclosed
WO-2002055582-A2 MELT POLYCARBONATE CATALYST SYSTEMS GENERAL ELECTRIC COMPANY (US) 2002-07-18 WO disclosed
US-6303737-B1 POLYCONDENSATION CATALYSTS WHICH ARE SALTS OF CERTAIN PHENANTHROLINE COMPOUNDS; EXCELLENT POLYMERIZATION RATES; REDUCING THE LEVEL OF BRANCHING SIDE REACTION, I.E., FORMATION OF FRIES PRODUCT GENERAL ELECTRIC COMPANY 2001-10-16 US disclosed
US-4459356-A Radioactive staining of gels to identify proteins GEORGETOWN UNIVERSITY (US) 1984-07-10 US disclosed
US-3887332-A Method of determining unsaturated iron binding capacity in serum EIKEN CHEMICAL 1975-06-03 US disclosed