SCHEMBL1695301

SCHEMBL1695301

O=S(=O)([O-])c1cc(N=Nc2ccc(O)cc2)ccc1C=Cc1ccc(N=Nc2ccc(O)cc2)cc1S(=O)(=O)[O-].[Na+].[Na+]

nearest known ligand 0.62

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 0.46
CA2 known ✓ P00918 2/20 0.46
P2RY6 known ✓ Q15077 1/20 0.46
PTGS1 known ✓ P23219 1/20 0.40
RAD51 Q06609 10/20 0.62
KDM4E B2RXH2 2/20 0.62
USP2 O75604 2/20 0.62
ALDH1A1 P00352 2/20 0.62
LTA P01374 2/20 0.62
CYP3A4 P08684 2/20 0.62
MAPT P10636 2/20 0.62
HPGD P15428 2/20 0.62
P2RX3 P56373 2/20 0.62
HSD17B10 Q99714 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
PLCG1 P19174 1/20 0.50
CA9 Q16790 2/20 0.46
CA7 P43166 1/20 0.46
RAD1 O60671 1/20 0.46
GLO1 Q04760 1/20 0.43

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
SCHEMBL1695298 1.00 RAD51 (0.62) RAD51KDM4EUSP2ALDH1A1LTA
SCHEMBL29351268 0.86 RAD1 (0.61) RAD51KDM4EUSP2ALDH1A1LTA
SCHEMBL19882736 0.84 RAD1 (0.63) RAD51KDM4EUSP2ALDH1A1LTA
SCHEMBL19154120 0.84 RAD1 (0.63) RAD51KDM4EUSP2ALDH1A1LTA
SCHEMBL6037155 0.84 RAD1 (0.63) RAD51KDM4EUSP2ALDH1A1LTA
SCHEMBL6037159 0.84 RAD1 (0.63) RAD51KDM4EUSP2ALDH1A1LTA
SCHEMBL29384039 0.84 RAD1 (0.63) RAD51KDM4EUSP2ALDH1A1LTA
SCHEMBL17518462 0.84 RAD1 (0.63) RAD51KDM4EUSP2ALDH1A1LTA
SCHEMBL2421720 0.83 RAD1 (0.61) RAD51KDM4EUSP2ALDH1A1LTA
SCHEMBL2421728 0.83 RAD1 (0.61) RAD51KDM4EUSP2ALDH1A1LTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130130399-A1 CO2 Indicator UNIVERSITY OF STRATHCLYDE (GB) 2013-05-23 US claimed
EP-2591335-A1 CO2 INDICATOR University of Strathclyde (GB) 2013-05-15 EP claimed
WO-2011141707-A1 CO2 INDICATOR UNIVERSITY OF STRATHCLYDE (GB) 2011-11-17 WO claimed
US-20130130399-A1 CO2 Indicator UNIVERSITY OF STRATHCLYDE (GB) 2013-05-23 US disclosed
EP-2591335-A1 CO2 INDICATOR University of Strathclyde (GB) 2013-05-15 EP disclosed
WO-2011141707-A1 CO2 INDICATOR UNIVERSITY OF STRATHCLYDE (GB) 2011-11-17 WO disclosed
US-8026021-B2 Film forming material and preparation of surface relief and optically anisotropic structures by irradiating a film of the said material Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2011-09-27 US disclosed
WO-2009087046-A1 HAND WASHING ASSESSMENT METHOD UNILEVER PLC (GB) 2009-07-16 WO disclosed
US-20090001632-A1 Film Forming Material and Preparation of Surface Relief and Optically Anisotropic Structures by Irradiating a Film of the Said Material FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2009-01-01 US disclosed
EP-1794236-B1 FILM FORMING MATERIAL AND PREPARATION OF SURFACE RELIEF AND OPTICALLY ANISOTROPIC STRUCTURES BY IRRADIATING A FILM OF THE SAID MATERIAL FRAUNHOFER GES FORSCHUNG (DE) 2008-12-31 EP disclosed
EP-1794236-A1 FILM FORMING MATERIAL AND PREPARATION OF SURFACE RELIEF AND OPTICALLY ANISOTROPIC STRUCTURES BY IRRADIATING A FILM OF THE SAID MATERIAL Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2007-06-13 EP disclosed
WO-2006024500-A1 FILM FORMING MATERIAL AND PREPARATION OF SURFACE RELIEF AND OPTICALLY ANISOTROPIC STRUCTURES BY IRRADIATING A FILM OF THE SAID MATERIAL FRAUNHOFER-GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2006-03-09 WO disclosed
EP-1632520-A1 Film forming material and preparation of surface relief and optically anisotropic structures by irradiating a film of the said material Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2006-03-08 EP disclosed