Triaziquone

Triaziquone

SCHEMBL7996887

NCC(=O)O.O=C1C=C(N2CC2)C(=O)C(N2CC2)=C1N1CC1.[Fe]

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D

The experimentally established mechanism targets of Triaziquone. 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
DNMT1 P26358 1/20 0.37
HTT P42858 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
STAT3 P40763 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GLRA1 P23415 1/20 0.32
SLC6A9 P48067 1/20 0.32
OR51E2 Q9H255 1/20 0.32
NSD2 O96028 2/20 0.31
APAF1 O14727 1/20 0.31
TDP2 O95551 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
TTR P02766 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HIF1A Q16665 1/20 0.30

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
Triaziquone SCHEMBL3191414 0.98 DNMT1 (0.38) DNMT1HTTTP53MAPTSTAT3
Triaziquone SCHEMBL3505984 0.97 DNMT1 (0.37) DNMT1HTTTP53MAPTSTAT3
Triaziquone SCHEMBL14957751 0.92 DNMT1 (0.34) DNMT1HTTTP53MAPTSTAT3
Triaziquone SCHEMBL5800741 0.90 DNMT1 (0.41) DNMT1HTTTP53MAPTSTAT3
Triaziquone SCHEMBL8585531 0.89 HTT (0.37) DNMT1HTTTP53MAPTSTAT3
Edetic Acid SCHEMBL4225221 0.87 TDP1 (0.37) DNMT1TSHR
Triaziquone SCHEMBL11791565 0.87 DNMT1 (0.39) DNMT1HTTTP53MAPTSTAT3
Triaziquone SCHEMBL4299467 0.87 DNMT1 (0.39) DNMT1HTTTP53MAPTSTAT3
Triaziquone SCHEMBL22346328 0.87 DNMT1 (0.39) DNMT1HTTTP53MAPTSTAT3
Triaziquone SCHEMBL1892343 0.87 DNMT1 (0.39) DNMT1HTTTP53MAPTSTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210393678-A1 PERSONALIZED FOOD PRODUCTS FOR ENSURING ADEQUATE IRON INTAKE MY-OR DIAGNOSTICS LTD. (IL) 2021-12-23 US claimed
EP-3873493-A1 PERSONALIZED FOOD PRODUCTS FOR ENSURING ADEQUATE IRON INTAKE My-Or Dianostics Ltd. (IL) 2021-09-08 EP claimed
US-20210393678-A1 PERSONALIZED FOOD PRODUCTS FOR ENSURING ADEQUATE IRON INTAKE MY-OR DIAGNOSTICS LTD. (IL) 2021-12-23 US disclosed
EP-3873493-A1 PERSONALIZED FOOD PRODUCTS FOR ENSURING ADEQUATE IRON INTAKE My-Or Dianostics Ltd. (IL) 2021-09-08 EP disclosed
EP-0777672-A4 AMINO ACID CHELATES HAVING IMPROVED PALATABILITY ALBION INT (US) 2000-04-05 EP disclosed
EP-0777672-A1 AMINO ACID CHELATES HAVING IMPROVED PALATABILITY ALBION INTERNATIONAL, INC. (US) 1997-06-11 EP disclosed
US-5516925-A Amino acid chelates having improved palatability ALBION INTERNATIONAL, INC. (US) 1996-05-14 US disclosed
WO-1996006101-A1 AMINO ACID CHELATES HAVING IMPROVED PALATABILITY ALBION INTERNATIONAL, INC. (US) 1996-02-29 WO disclosed