SCHEMBL4229527

SCHEMBL4229527

[C-]#N.[C-]#N.[H+].[Na+]

nearest known ligand 0.00

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.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Sodium Cyanide SCHEMBL387 0.89
SCHEMBL11221678 0.89
SCHEMBL34584 0.89
SCHEMBL309167 0.89
SCHEMBL9301319 0.80
SCHEMBL8331744 0.80
SCHEMBL9301324 0.80
Potassium Ion SCHEMBL10619299 0.80
SCHEMBL1068517 0.80
SCHEMBL698347 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115151304-A Small molecule interferon gene stimulating factor (STING) antagonists 库拉德夫制药私人有限公司 2022-10-04 CN disclosed
CN-115075006-A Washable, bacteria-and virus-killing fabric, its preparation method and its finishing formula set 纳米及先进材料研发院有限公司 2022-09-20 CN disclosed
CN-113683695-A anti-CXCR 4 antibodies and antibody-drug conjugates 辉瑞公司 2021-11-23 CN disclosed
CN-113562917-A High-recovery-rate seawater desalination process 烟台金正环保科技有限公司 2021-10-29 CN disclosed
CN-108940369-B Preparation method and application of salen Cu (II) catalyst 湖南亚王医药科技有限公司 2021-08-10 CN disclosed
CN-108358749-B Method for producing propargyl alcohol 重庆弛源化工有限公司 2021-06-22 CN disclosed
CN-110835528-A Preparation of composite fluorescent nano probe and detection method of hydrogen peroxide by using composite fluorescent nano probe 南宁师范大学 2020-02-25 CN disclosed
EP-1369133-B1 GENE CARRIERS COMPRISING A BETA-1,3-GLUCAN AND PROCESS FOR PRODUCING THE SAME JAPAN SCIENCE & TECH AGENCY (JP) 2012-08-01 EP disclosed
US-7521433-B2 Gene carriers with the use of polysaccharide and process for producing the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-04-21 US disclosed
US-20070196812-A1 Effective method of function analysis and screening of protein utilizing fluorescent light generated by cell-free protein synthesizing system OLYMPUS CORPORATION (JP) 2007-08-23 US disclosed
EP-1736781-A1 EFFECTIVE METHOD OF FUNCTION ANALYSIS AND SCREENING OF PROTEIN UTILIZING FLUORESCENT GENERATED BY CELL-FREE PROTEIN SYNTHESIZING SYSTEM Olympus Corporation (JP) 2006-12-27 EP disclosed
US-20060084149-A1 Gene carriers with the use of polysaccharide and process for producing the same SHIN MITSUI SUGAR CO., LTD. (JP) 2006-04-20 US disclosed
EP-1369133-A1 GENE CARRIERS WITH THE USE OF POLYSACCHARIDE AND PROCESS FOR PRODUCING THE SAME Japan Science and Technology Corporation (JP) 2003-12-10 EP disclosed
EP-0274431-B1 Drug delivery compositions and methods QUIXOTE CORP (US) 1994-05-04 EP disclosed
US-4914084-A Composition and method for introducing heme, hemoproteins, and/or heme-hemoprotein complexes into the body SYNTHETIC BLOOD CORPORATION (US) 1990-04-03 US disclosed
EP-0274431-A2 Drug delivery compositions and methods QUIXOTE CORPORATION (US) 1988-07-13 EP disclosed