SCHEMBL445718

SCHEMBL445718

Cc1cc(NC(=O)Nc2ccc(/N=N/c3cc(S(=O)(=O)[O-])c4cccc(S(=O)(=O)[O-])c4c3)c(C)c2)ccc1/N=N/c1cc(S(=O)(=O)[O-])c2cccc(S(=O)(=O)[O-])c2c1.[Na+].[Na+].[Na+].[Na+]

nearest known ligand 0.53

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
THRB known ✓ P10828 2/20 0.47
ATIC P31939 1/20 0.53
SUMO2 P61956 1/20 0.53
SUMO1 P63165 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP2 Q9HC62 1/20 0.53
TSHR P16473 2/20 0.47
RECQL P46063 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
MAPK1 P28482 1/20 0.47
ENPP2 Q13822 6/20 0.43
HPSE Q9Y251 5/20 0.42
APP P05067 1/20 0.40
GLB1 P16278 1/20 0.40
CHAT P28329 1/20 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
SCHEMBL2865041 1.00 ATIC (0.53) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL29723334 1.00 ATIC (0.53) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL29637797 0.88 SENP2 (0.69) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL11345068 0.88 SENP2 (0.69) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL13330173 0.85 SENP2 (0.64) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL30034854 0.82 SENP7 (0.46) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL11751115 0.81 ATIC (0.75) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL29371618 0.80 CARM1 (0.47) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL4172944 0.80 CARM1 (0.47) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL1618524 0.79 ATIC (0.45) ATICSUMO2SUMO1SENP7SENP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110589806-B Efficient purification method of water-dispersible carbon nano material 武汉大学 2022-08-05 CN claimed
EP-2889671-B1 POLARIZING LENS FOR SUNGLASSES MITSUBISHI GAS CHEMICAL CO (JP) 2020-11-04 EP claimed
CN-110589806-A Efficient purification method of water-dispersible carbon nano material 武汉大学 2019-12-20 CN claimed
CN-106082419-B Method and application of the degradation of macrocyclic amide metal complex containing organic pollutant wastewater 北京服装学院 2019-05-31 CN claimed
CN-106082419-A The degraded of macrocyclic amide metal complex contains method and the application of organic pollutant wastewater 北京服装学院 2016-11-09 CN claimed
EP-1847571-B1 Pigment umfassend ein plättchenförmiges Substrat MERCK PATENT GMBH (DE) 2013-12-25 EP claimed
CN-102732055-A Multi-component chromogenic anion co-intercalation supramolecular structure pigment and preparation method thereof UNIV BEIJING CHEMICAL 2012-10-17 CN claimed
US-20110160399-A1 HISTONE MODIFICATION INHIBITOR SPECIFIC TO TARGET GENE NIHON UNIVERSITY (JP) 2011-06-30 US claimed
EP-2311494-A1 HISTONE MODIFICATION INHIBITOR SPECIFIC TO TARGET GENE Nihon University (JP) 2011-04-20 EP claimed
WO-2011008795-A1 YELLOW INKJET INK HAVING IMPROVED PRINT QUALITY WITH POROUS PHOTO MEDIA LEXMARK INTERNATIONAL, INC. (US) 2011-01-20 WO claimed
US-20030035034-A1 Ink set comprising dark yellow ink composition SEIKO EPSON CORPORATION 2003-02-20 US claimed
US-6521030-B1 Set of ink jet inks for ink jet printing, comprising light magenta ink comprising high lightfastness magenta dye, further comprising dark magenta ink comprising high chroma magenta dye HEWLETT-PACKARD COMPANY 2003-02-18 US claimed
US-20020198294-A1 Antireflective, layer-forming composition, layer configuration containing the antireflective layer, and process for producing the antireflective layer POLARIS INNOVATIONS LIMITED (IE) 2002-12-26 US claimed
US-20020059884-A1 Ink composition for ink-jet printers SAMSUNG ELECTRONICS CO., LTD. (KR) 2002-05-23 US claimed
EP-1172422-A2 Inkjet ink sets with high lightfastness dye Hewlett-Packard Company (US) 2002-01-16 EP claimed
US-6063174-A GREEN PIXELS HAVING A HIGH PERMEABILITY. CANON KABUSHIKI KAISHA (JP) 2000-05-16 US claimed
US-5482545-A Ink, and ink-jet recording method and instrument using the same CANON KABUSHIKI KAISHA (JP) 1996-01-09 US claimed
EP-0662499-A2 Ink, and ink-jet recording method and instrument using the same CANON KABUSHIKI KAISHA (JP) 1995-07-12 EP claimed
US-4880788-A Method for preventing and treating thrombosis BAYLOR COLLEGE OF MEDICINE (US) 1989-11-14 US claimed
WO-1989004166-A1 METHOD FOR PREVENTING AND TREATING OF THROMBOSIS BMRT, LTD. (US) 1989-05-18 WO claimed