SCHEMBL15545271

SCHEMBL15545271

O=C(Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(/N=N/c3ccc4c(S(=O)(=O)[O-])cccc4c3S(=O)(=O)[O-])c(O)c12)c1cccc(Nc2nc(F)nc(F)c2Cl)c1.[Na+].[Na+].[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 20)

geneUniProtsupporting neighboursconfidence
▸ HPSE Q9Y251 7/20 0.41
▸ ENPP2 Q13822 1/20 0.41
▸ POLB P06746 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ P2RX1 P51575 3/20 0.40
▸ P2RX3 P56373 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ PKM P14618 3/20 0.40
▸ TSHR P16473 3/20 0.40
▸ NFKB1 P19838 3/20 0.40
▸ APEX1 P27695 3/20 0.40
▸ RECQL P46063 3/20 0.40
▸ BLM P54132 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ P2RY11 Q96G91 4/20 0.40

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
SCHEMBL15545273 1.00 HPSE (0.41) HPSEENPP2POLBKMT2AP2RX1
SCHEMBL12189947 0.88 ENPP2 (0.47) HPSEENPP2KMT2AAPEX1RECQL
SCHEMBL30399908 0.84 PRMT1 (0.47) ENPP2POLBKMT2ATDP1ALDH1A1
SCHEMBL30338211 0.84 PRMT1 (0.47) ENPP2POLBKMT2ATDP1ALDH1A1
SCHEMBL12189930 0.83 ENPP2 (0.51) HPSEENPP2KMT2AAPEX1RECQL
Lithium Ion SCHEMBL30338038 0.82 ENPP2 (0.46) HPSEENPP2POLBKMT2AAPEX1
SCHEMBL15545270 0.75 ENPP2 (0.48) ENPP2KMT2AAPEX1TDP1ALDH1A1
SCHEMBL14615367 0.75 ENPP2 (0.48) ENPP2KMT2AAPEX1TDP1ALDH1A1
SCHEMBL14388951 0.73 CD40 (0.43) ENPP2KMT2ATDP1ALDH1A1MEN1
SCHEMBL15544404 0.73 CD40 (0.43) ENPP2KMT2ATDP1ALDH1A1MEN1

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-2877538-B1 HOME FABRIC DYE PRODUCT HENKEL AG & CO KGAA (DE) 2017-09-06 — — EP claimed
EP-2877538-A1 HOME FABRIC DYE PRODUCT Punch Industries (IE) 2015-06-03 — — EP claimed
WO-2014006132-A1 HOME FABRIC DYE PRODUCT PUNCH INDUSTRIES (IE) 2014-01-09 — — WO claimed
EP-3390708-B1 CONSUMER UNIT FOR DYEING TEXTILE HENKEL AG & CO KGAA (DE) 2023-04-05 — — EP disclosed
EP-3390708-A1 CONSUMER UNIT FOR DYEING TEXTILE Henkel AG & Co. KGaA (DE) 2018-10-24 — — EP disclosed
EP-2877538-B1 HOME FABRIC DYE PRODUCT HENKEL AG & CO KGAA (DE) 2017-09-06 — — EP disclosed
WO-2017102314-A1 CONSUMER UNIT FOR DYEING TEXTILE HENKEL AG & CO. KGAA (DE) 2017-06-22 — — WO disclosed
EP-2877538-A1 HOME FABRIC DYE PRODUCT Punch Industries (IE) 2015-06-03 — — EP disclosed
WO-2014006132-A1 HOME FABRIC DYE PRODUCT PUNCH INDUSTRIES (IE) 2014-01-09 — — WO disclosed
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