Menadione

Menadione

SCHEMBL207465

CC1=CC(=O)c2ccccc2C1=O.O=S([O-])O.[Na+]

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Menadione. 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
ADORA3 known ✓ P0DMS8 1/20 0.72
RAF1 known ✓ P04049 1/20 0.47
THRB known ✓ P10828 1/20 0.39
ALDH1A1 P00352 5/20 0.72
MAPT P10636 5/20 0.72
CDC25A P30304 4/20 0.72
CDC25B P30305 4/20 0.72
HPGD P15428 4/20 0.72
MAPK1 P28482 4/20 0.72
IDO1 P14902 3/20 0.72
MEN1 O00255 3/20 0.72
KMT2A Q03164 3/20 0.72
CYP3A4 P08684 3/20 0.72
LMNA P02545 3/20 0.72
TP53 P04637 2/20 0.72
CYP1A2 P05177 2/20 0.72
HSPD1 P10809 2/20 0.72
BLM P54132 2/20 0.72
HSPE1 P61604 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.72

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
Menadione SCHEMBL30514399 1.00 ALDH1A1 (0.72) ALDH1A1MAPTCDC25ACDC25BHPGD
Menadione SCHEMBL10981249 0.93 ALDH1A1 (0.78) ALDH1A1MAPTCDC25ACDC25BHPGD
Menadione SCHEMBL433363 0.91 ALDH1A1 (0.81) ALDH1A1MAPTCDC25ACDC25BHPGD
Menadione SCHEMBL1846014 0.89 ALDH1A1 (0.78) ALDH1A1MAPTCDC25ACDC25BHPGD
Menadione SCHEMBL6675827 0.89 ALDH1A1 (0.78) ALDH1A1MAPTCDC25ACDC25BHPGD
Menadione SCHEMBL29351164 0.85 MAPT (1.00) ALDH1A1MAPTCDC25ACDC25BHPGD
Menadione SCHEMBL25970 0.85 MAPT (1.00) ALDH1A1MAPTCDC25ACDC25BHPGD
Menadione SCHEMBL1364028 0.85 MAPT (1.00) ALDH1A1MAPTCDC25ACDC25BHPGD
Menadione SCHEMBL19356853 0.85 MAPT (1.00) ALDH1A1MAPTCDC25ACDC25BHPGD
Menadione SCHEMBL10610956 0.84 CDC25A (0.55) ALDH1A1MAPTCDC25ACDC25BHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507555-B2 Non-toxic anti-cancer drug combining ascorbate, magnesium and a naphthoquinone SUMMA HEALTH SYSTEM (US) 2013-08-13 US claimed
US-5116406-A Choline chloride and vitamin k MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1992-05-26 US claimed
CN-115461096-B Polymer encapsulated drug particles 吉益医疗公司 2024-09-13 CN disclosed
CN-116998638-A Copper-zinc additive feed for promoting growth health of pelteobagrus fulvidraco and preparation method thereof 华中农业大学 2023-11-07 CN disclosed
CN-113185433-B Preparation method of menadione sodium bisulfate 新发药业有限公司 2023-09-08 CN disclosed
CN-110343666-B Feed supplement culture medium for CHO cell culture and preparation method and application thereof 通化东宝药业股份有限公司 2023-05-30 CN disclosed
CN-113185431-B Green preparation method of menadione sodium bisulfite 新发药业有限公司 2023-03-31 CN disclosed
CN-113185433-A Preparation method of menadione sodium bisulfite 新发药业有限公司 2021-07-30 CN disclosed
CN-113185431-A Green preparation method of menadione sodium bisulfite 新发药业有限公司 2021-07-30 CN disclosed
US-11052046-B2 Method for preparing micro-particles by double emulsion technique NANOMI B.V. (NL) 2021-07-06 US disclosed
US-20210015752-A1 METHODS FOR PRODUCING PARTICLES OF AN ACTIVE INGREDIENT SAVIOR LIFETEC CORPORATION (TW) 2021-01-21 US disclosed
EP-0065513-B1 ANTIMYCOTIC SYNERGISTIC PHARMACEUTICAL COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1985-09-18 EP disclosed
EP-0065513-B1 ANTIMYCOTIC SYNERGISTIC PHARMACEUTICAL COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1985-09-18 EP disclosed
EP-0117321-A2 Foodstuffs, including chewing gum with anti-caries activity, and processes for preparing them TABAGH AG (CH) 1984-09-05 EP disclosed
EP-0065513-A4 ANTIMYCOTIC SYNERGISTIC PHARMACEUTICAL COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF. CHINOIN GYOGYSZER ES VEGYESZET (HU) 1983-03-29 EP disclosed
EP-0065513-A4 ANTIMYCOTIC SYNERGISTIC PHARMACEUTICAL COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF. CHINOIN GYOGYSZER ES VEGYESZET (HU) 1983-03-29 EP disclosed
EP-0065513-A1 ANTIMYCOTIC SYNERGISTIC PHARMACEUTICAL COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF. CHINOIN GYOGYSZER ES VEGYESZET (HU) 1982-12-01 EP disclosed
EP-0065513-A1 ANTIMYCOTIC SYNERGISTIC PHARMACEUTICAL COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF. CHINOIN GYOGYSZER ES VEGYESZET (HU) 1982-12-01 EP disclosed
WO-1982001821-A1 ANTIMYCOTIC SYNERGISTIC PHARMACEUTICAL COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF KOVACS ANDRAS 1982-06-10 WO disclosed
WO-1982001821-A1 ANTIMYCOTIC SYNERGISTIC PHARMACEUTICAL COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF KOVACS ANDRAS 1982-06-10 WO disclosed