SCHEMBL333160

SCHEMBL333160

N#CC#N.[BH4-].[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
SCHEMBL3648069 1.00
Lithium Ion SCHEMBL27351343 0.86
Hydrochloric Acid SCHEMBL27595398 0.86
Water SCHEMBL27700526 0.86
SCHEMBL27513398 0.84 CA1 (0.57)
Water SCHEMBL9336807 0.84
SCHEMBL27512693 0.84 CA1 (0.57)
SCHEMBL11560033 0.84
SCHEMBL9547 0.84
SCHEMBL29827705 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 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111521803-A Protein probe and application thereof in evaluating specific binding of antigen and antibody 华南理工大学 2020-08-11 CN claimed
CN-112469720-B Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy 艾科思莱德制药公司 2024-03-29 CN disclosed
CN-112236423-B Piperidinyl-3- (aryloxy) propanamides and propionic acid esters 武田药品工业株式会社 2024-02-06 CN disclosed
CN-117098767-A METTL3 modulators 埃克森特治疗公司 2023-11-21 CN disclosed
CN-116332873-A Protein tyrosine phosphatase inhibitors and methods of use thereof 卡里科生命科学有限责任公司 2023-06-27 CN disclosed
CN-116171272-A Novel VDAC1 inhibitors 阿巴尔塞奥制药公司 2023-05-26 CN disclosed
US-10576137-B2 Oligosialic acid derivatives, methods of manufacture, and immunological uses CHILDREN'S HOSPITAL RESEARCH CENTER AT OAKLAND (US) 2020-03-03 US disclosed
US-20170056489-A1 Oligosialic Acid Derivatives, Methods of Manufacture, and Immunological Uses CHILDREN'S HOSPITAL AND RESEARCH CENTER AT OAKLAND 2017-03-02 US disclosed
US-9333247-B2 Oligosialic acid derivatives, methods of manufacture, and immunological uses CHILDREN'S HOSPITAL & RESEARCH CENTER AT OAKLAND (US) 2016-05-10 US disclosed
US-8642562-B2 Polysialic acid derivatives, methods of production, and uses in enhancing cancer antigen production and targeting CHILDREN'S HOSPITAL & RESEARCH CENTER OAKLAND (US) 2014-02-04 US disclosed
EP-0401248-A4 AFFINITY MATRICES OF MODIFIED POLYSACCHARIDE SUPPORTS 1992-04-15 EP disclosed
US-5059654-A Synthetic polymer; affinity ligand or biologically active molecule; hydrophobic compound, chromatographic separation CUNO INC. (US) 1991-10-22 US disclosed
EP-0425268-A2 Phosphazene polymer carrier for biologically active substance TEIJIN LIMITED (JP) 1991-05-02 EP disclosed
EP-0401248-A1 AFFINITY MATRICES OF MODIFIED POLYSACCHARIDE SUPPORTS Cuno Incorporated (US) 1990-12-12 EP disclosed
CN-1047078-A Polyamines and polypeptides useful as excitatory amino acid neurotransmitter antagonists and/or calcium channel blockers PFIZER (US) 1990-11-21 CN disclosed
CN-1038837-A RECOMBINANT COCCIDIOSIS VACCINES HOFFMANN LA ROCHE (CH) 1990-01-17 CN disclosed
WO-1989007618-A1 AFFINITY MATRICES OF MODIFIED POLYSACCHARIDE SUPPORTS CUNO, INCORPORATED (US) 1989-08-24 WO disclosed
CN-88100378-A New peptidase inhibitors 1988-10-05 CN disclosed
CN-85105798-A Octahydro- azoles is the preparation method of [4,5-g] quinoline also 1987-01-28 CN disclosed
CN-85101547-A The preparation method and its usage of novel octahydro thiazole [4,5-g] and quinoline compound 1987-01-24 CN disclosed