SCHEMBL4057351

SCHEMBL4057351

O=C(Nc1ccccc1)Nc1ccc(/C=C/c2ccc(NC(=O)Nc3ccccc3)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[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
▸ CA12 known ✓ O43570 2/20 0.50
▸ CA1 known ✓ P00915 2/20 0.50
▸ CA2 known ✓ P00918 2/20 0.50
▸ RAD51 Q06609 6/20 0.61
▸ ENPP2 Q13822 1/20 0.56
▸ CA9 Q16790 2/20 0.50
▸ KCNJ6 P48051 1/20 0.50
▸ KCNJ5 P48544 1/20 0.50
▸ KCNJ3 P48549 1/20 0.50
▸ APEX1 P27695 1/20 0.48
▸ MAPT P10636 3/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ EPHX1 P07099 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ CDK9 P50750 1/20 0.47
▸ CLK4 Q9HAZ1 1/20 0.47

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
SCHEMBL17255097 1.00 RAD51 (0.61) RAD51ENPP2CA12CA1CA2
SCHEMBL29455562 1.00 RAD51 (0.61) RAD51ENPP2CA12CA1CA2
SCHEMBL9321648 0.86 ENPP2 (0.74) ENPP2CA12CA1CA2CA9
SCHEMBL14437899 0.86 ENPP2 (0.74) ENPP2CA12CA1CA2CA9
SCHEMBL31389389 0.85 RAD51 (0.72) RAD51CA12CA1CA2CA9
SCHEMBL15282738 0.84 ENPP2 (0.72) ENPP2CA12CA1CA2CA9
SCHEMBL17255098 0.84 ENPP2 (0.72) ENPP2CA12CA1CA2CA9
SCHEMBL26977995 0.84 ENPP2 (0.72) ENPP2CA12CA1CA2CA9
SCHEMBL15210455 0.83 MAPT (0.54) RAD51CA12CA1CA2CA9
SCHEMBL31389377 0.82 RAD51 (0.70) RAD51APEX1MAPTTP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023126375-A1 MARKING COMPOSITION FOR APPLICATION ON A SPORTS PROJECTILE GROUNDTOUCH GMBH (DE) 2023-07-06 — — WO disclosed
EP-3030077-B1 FORMULATIONS AND NANOPARTICLES OF SILICA WITH INSECT REPELLENT ACTIVITY ON TEXTILE SUBSTRATE AND OTHER MATERIALS AND RESPECTIVE PROCESS OF PREPARATION AND FIXATION SUCCESS GADGET NANOTECNOLOGIA E NOVOS MATERIAIS LDA (PT) 2019-09-11 — — EP disclosed
US-9810630-B1 Fluorescent marking gel compositions and methods of use ECOLAB USA INC. (US) 2017-11-07 — — US disclosed
EP-3030077-A1 COMPOUNDS AND REACTIVE NANOPARTICLES OP SILICA WITH INSECT REPELLENT ACTIVITY ON TEXTILE SUBSTRATE AND OTHER MATERIALS AND RESPECTIVE PROCESS OF PREPARATION AND BINDING Ecoticket, Lda (PT) 2016-06-15 — — EP disclosed
EP-2838577-A1 HYDROPHILIC POLYMERIC COATINGS FOR MEDICAL ARTICLES WITH VISUALIZATION MOIETY SurModics, Inc. (US) 2015-02-25 — — EP disclosed
US-8956682-B2 Hydrophilic polymeric coatings for medical articles with visualization moiety SURMODICS, INC. (US) 2015-02-17 — — US disclosed
WO-2014200378-A1 COMPOUNDS AND REACTIVE NANOPARTICLES OP SILICA WITH INSECT REPELLENT ACTIVITY ON TEXTILE SUBSTRATE AND OTHER MATERIALS AND RESPECTIVE PROCESS OF PREPARATION AND BINDING ECOTICKET, LDA (PT) 2014-12-18 — — WO disclosed
WO-2013151991-A1 HYDROPHILIC POLYMERIC COATINGS FOR MEDICAL ARTICLES WITH VISUALIZATION MOIETY SURMODICS, INC. (US) 2013-10-10 — — WO disclosed
US-20130261566-A1 HYDROPHILIC POLYMERIC COATINGS FOR MEDICAL ARTICLES WITH VISUALIZATION MOIETY SURMODICS, INC. (US) 2013-10-03 — — US disclosed
US-20090250183-A1 PAPER COATING OR BINDING FORMULATIONS AND METHODS OF MAKING AND USING SAME BASF SE (DE) 2009-10-08 — — US disclosed
EP-1417360-B1 METHOD FOR THE PRODUCTION OF FIBRES OR A FIBROUS PRODUCT IN AN ELECTROSTATIC SPINNING METHOD HELSA AUTOMOTIVE GMBH & CO KG (DE) 2004-12-22 — — EP disclosed
US-20040207126-A1 Method for the production of fibres or a fibrous product in an electrostatic spinning method HELSA-AUTOMOTIVE GMBH & CO. KG (DE) 2004-10-21 — — US disclosed
EP-1417360-A1 METHOD FOR THE PRODUCTION OF FIBRES OR A FIBROUS PRODUCT IN AN ELECTROSTATIC SPINNING METHOD HELSA-WERKE HELMUT SANDLER GmbH & CO. KG (DE) 2004-05-12 — — EP disclosed
WO-2003014430-A1 METHOD FOR THE PRODUCTION OF FIBRES OR A FIBROUS PRODUCT IN AN ELECTROSTATIC SPINNING METHOD HELSA-WERKE HELMUT SANDLER GMBH & CO. KG (DE) 2003-02-20 — — WO disclosed
US-5879674-A SIMPLE SELF-AGGLOMERATION OF COAL FINES HEATED TO AT LEAST 600 DEGREES CELCIUS FOR AT LEAST 5 MINUTES AMERICAN CYANAMID COMPANY (US) 1999-03-09 — — US disclosed
EP-0568731-A1 Methods and compositions containing pesticides and stilbene compounds for enhanced pesticidal activity AMERICAN CYANAMID COMPANY (US) 1993-11-10 — — EP disclosed
US-5246936-A Methods and compositions containing pesticides and stilbene compounds for enhanced pesticidal activity AMERICAN CYANAMID COMPANY (US) 1993-09-21 — — US disclosed
US-5055195-A Coagulation, filtration, separation form whole blood; having two strongly polar groups separated by aromatic or heteroaroma tic rings BOEHRINGER MANNHEIM GMBH (DE) 1991-10-08 — — US disclosed
EP-0163854-B1 PROCESS FOR THE ELIMINATION OF FLUORESCENCE AND CATIONIC OR AMPHOTERIC AROMATIC NITRO COMPOUNDS BAYER AG (DE) 1991-02-27 — — EP disclosed
EP-0303894-A2 Radiation sterilizable composition and articles made therefrom AMERICAN CYANAMID COMPANY (US) 1989-02-22 — — EP disclosed
Send feedback