SCHEMBL3173648

SCHEMBL3173648

CCCN(CCCS(=O)(=O)[O-])c1ccc(N=Nc2ccc(Br)cn2)c(O)c1.CCCN(CCCS(=O)(=O)[O-])c1ccc(N=Nc2ccc(Br)cn2)c(O)c1.[Na+].[Na+]

nearest known ligand 0.41

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 17)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 13/20 0.41
▸ RIOK2 Q9BVS4 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ MITF O75030 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PAX8 Q06710 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL4207578 1.00 KCNH2 (0.41) KCNH2RIOK2KDM4EGAAALDH1A1
SCHEMBL29743296 1.00 KCNH2 (0.41) KCNH2RIOK2KDM4EGAAALDH1A1
Water SCHEMBL30026832 0.99 KCNH2 (0.41) KCNH2RIOK2KDM4EGAAALDH1A1
SCHEMBL3424094 0.91 KCNH2 (0.49) KCNH2RIOK2KDM4EGAAALDH1A1
SCHEMBL29652162 0.91 KCNH2 (0.49) KCNH2RIOK2KDM4EGAAALDH1A1
SCHEMBL29652161 0.91 KCNH2 (0.49) KCNH2RIOK2KDM4EGAAALDH1A1
SCHEMBL1057997 0.91 KCNH2 (0.49) KCNH2RIOK2KDM4EGAAALDH1A1
SCHEMBL3173642 0.90 KCNH2 (0.48) KCNH2RIOK2KDM4EGAAALDH1A1
SCHEMBL3173652 0.90 KCNH2 (0.48) KCNH2RIOK2KDM4EGAAALDH1A1
SCHEMBL4207580 0.90 KCNH2 (0.48) KCNH2RIOK2KDM4EGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2653506-B1 METHOD FOR PRESERVING AQUEOUS SOLUTION CONTAINING LEUCO CHROMOGEN HITACHI CHEMICAL DIAGNOSTICS SYSTEMS CO LTD (JP) 2021-12-08 — — EP disclosed
US-9176066-B2 Method for preserving aqueous solution containing leuco chromogen KYOWA MEDEX CO., LTD. (JP) 2015-11-03 — — US disclosed
EP-2653506-A1 METHOD FOR STORING LEUCO CHROMOGEN-CONTAINING AQUEOUS SOLUTION Kyowa Medex Co., Ltd. (JP) 2013-10-23 — — EP disclosed
US-20130252343-A1 METHOD FOR PRESERVING AQUEOUS SOLUTION CONTAINING LEUCO CHROMOGEN KYOWA MEDEX CO., LTD. (JP) 2013-09-26 — — US disclosed
US-7648839-B2 Metal indicator KOWA CO., LTD. (JP) 2010-01-19 — — US disclosed
US-20080057591-A1 Metal Indicator KOWA CO., LTD. (JP) 2008-03-06 — — US disclosed
EP-1762843-A1 METAL INDICATOR KOWA CO. LTD. (JP) 2007-03-14 — — EP disclosed
EP-0763512-A1 AIR BAG GAS GENERATING AGENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-03-19 — — EP disclosed
EP-0508242-A2 Enzyme reagent, kit, and method for determination of blood phenylalanine CIBA CORNING DIAGNOSTICS K.K. (JP) 1992-10-14 — — EP disclosed
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