SCHEMBL2729083

SCHEMBL2729083

O=S(=O)([O-])c1c(C=Cc2ccc(Nc3nc(Nc4ccccc4)nc(N4CCOCC4)n3)cc2)ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c1S(=O)(=O)[O-].[Na+].[Na+]

nearest known ligand 0.57

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
CA12 known ✓ O43570 5/20 0.57
CA1 known ✓ P00915 5/20 0.57
CA2 known ✓ P00918 5/20 0.57
PTGS2 known ✓ P35354 2/20 0.44
CA9 Q16790 5/20 0.57
LMNA P02545 4/20 0.52
HTT P42858 2/20 0.52
POLB P06746 2/20 0.47
MAPT P10636 7/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
PIKFYVE Q9Y2I7 1/20 0.43
KDM4E B2RXH2 3/20 0.42

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
SCHEMBL28716108 0.89 CA12 (0.56) CA12CA1CA2CA9LMNA
SCHEMBL28498866 0.86 CA12 (0.54) CA12CA1CA2CA9LMNA
SCHEMBL10928532 0.86 CA12 (0.59) CA12CA1CA2CA9LMNA
SCHEMBL8746483 0.86 CA12 (0.59) CA12CA1CA2CA9LMNA
SCHEMBL11730543 0.84 CA12 (0.60) CA12CA1CA2CA9LMNA
SCHEMBL15268433 0.84 CA12 (0.55) CA12CA1CA2CA9LMNA
SCHEMBL9624630 0.83 CA12 (0.50) CA12CA1CA2CA9LMNA
SCHEMBL3115297 0.82 LMNA (0.77) CA12CA1CA2CA9LMNA
SCHEMBL30139086 0.82 LMNA (0.77) CA12CA1CA2CA9LMNA
SCHEMBL757098 0.82 LMNA (0.77) CA12CA1CA2CA9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2976415-B1 COLOUR PROTECTING DETERGENT COMPOPOSITION COMPRISING AN OPTICAL BRIGHTENER HENKEL AG & CO KGAA (DE) 2018-10-17 EP claimed
EP-2976415-A1 COLOR-PROTECTING DETERGENT OR CLEANING AGENT HAVING AN OPTICAL BRIGHTENER Henkel AG&Co. KGAA (DE) 2016-01-27 EP claimed
WO-2014146985-A1 COLOR-PROTECTING DETERGENT OR CLEANING AGENT HAVING AN OPTICAL BRIGHTENER HENKEL AG & CO. KGAA (DE) 2014-09-25 WO claimed
EP-2176392-B1 COLOR-SAFE DETERGENT OR CLEANING AGENT HAVING OPTICAL BRIGHTENER HENKEL AG & CO KGAA (DE) 2013-10-23 EP claimed
EP-4652254-A1 DETERGENT HAVING IMPROVED WASHING/CLEANING PERFORMANCE Henkel AG & Co. KGaA (DE) 2025-11-26 EP disclosed
WO-2025124777-A1 DETERGENT OR CLEANING AGENT MOLDED BODIES HENKEL AG & CO. KGAA (DE) 2025-06-19 WO disclosed
WO-2025124794-A1 DETERGENT OR CLEANING AGENT MOLDED BODIES HENKEL AG & CO. KGAA (DE) 2025-06-19 WO disclosed
EP-4504884-A1 HAIR REMOVAL BY MEANS OF DETERGENT/DETERGENT ADDITIVES CONTAINING ENZYMES Henkel AG & Co. KGaA (DE) 2025-02-12 EP disclosed
EP-3753971-B1 POLYMERS FOR THE TREATMENT OF SURFACES HENKEL AG & CO KGAA (DE) 2024-11-27 EP disclosed
EP-3749738-B1 VISCOELASTIC, SOLID SURFACTANT COMPOSITION HENKEL AG & CO KGAA (DE) 2024-08-14 EP disclosed
WO-2024153572-A1 DETERGENT HAVING IMPROVED WASHING/CLEANING PERFORMANCE HENKEL AG & CO. KGAA (DE) 2024-07-25 WO disclosed
CN-113646415-B Use of mannanases in combination with catechol derivatives 汉高股份有限及两合公司 2024-05-14 CN disclosed
EP-2976415-A1 COLOR-PROTECTING DETERGENT OR CLEANING AGENT HAVING AN OPTICAL BRIGHTENER Henkel AG&Co. KGAA (DE) 2016-01-27 EP disclosed
WO-2014146985-A1 COLOR-PROTECTING DETERGENT OR CLEANING AGENT HAVING AN OPTICAL BRIGHTENER HENKEL AG & CO. KGAA (DE) 2014-09-25 WO disclosed
EP-2176392-B1 COLOR-SAFE DETERGENT OR CLEANING AGENT HAVING OPTICAL BRIGHTENER HENKEL AG & CO KGAA (DE) 2013-10-23 EP disclosed
EP-2633019-A1 DETERGENTS WITH ANTIMICROBIAL EFFECT Henkel AG & Co. KGaA (DE) 2013-09-04 EP disclosed
WO-2012055775-A1 DETERGENTS WITH ANTIMICROBIAL EFFECT HENKEL AG & CO. KGAA (DE) 2012-05-03 WO disclosed
EP-2176392-A1 COLOR-SAFE DETERGENT OR CLEANING AGENT HAVING OPTICAL BRIGHTENER Henkel AG & Co. KGaA (DE) 2010-04-21 EP disclosed
WO-2009019136-A1 COLOR-SAFE DETERGENT OR CLEANING AGENT HAVING OPTICAL BRIGHTENER HENKEL AG & CO. KGAA (DE) 2009-02-12 WO disclosed
US-3980669-A Continuous process for manufacturing gamma sultones COLGATE-PALMOLIVE COMPANY (US) 1976-09-14 US disclosed