Triaziquone

Triaziquone

SCHEMBL6535620

CC(O)C(=O)O.O=C1C=C(N2CC2)C(=O)C(N2CC2)=C1N1CC1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CHRM1DRD2DRD3DRD4HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR2APDE3ASIGMAR1

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
CHRM1 known ✓ P11229 1/20 0.30
DNMT1 P26358 1/20 0.40
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
STAT3 P40763 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NSD2 O96028 3/20 0.34
APAF1 O14727 2/20 0.34
TDP2 O95551 2/20 0.34
HKDC1 Q2TB90 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GALK1 P51570 1/20 0.33
BLM P54132 1/20 0.33
ATM Q13315 1/20 0.33
NOD2 Q9HC29 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33

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 SCHEMBL11583629 0.92 DNMT1 (0.41) DNMT1TP53MAPTHTTSTAT3
Triaziquone SCHEMBL3100107 0.90 DNMT1 (0.44) DNMT1TP53MAPTHTTSTAT3
Triaziquone SCHEMBL4082601 0.89 DNMT1 (0.39) DNMT1TP53MAPTHTTSTAT3
Triaziquone SCHEMBL112498 0.89 DNMT1 (0.39) DNMT1TP53MAPTHTTSTAT3
Triaziquone SCHEMBL11545270 0.87 DNMT1 (0.42) DNMT1TP53MAPTHTTSTAT3
Triaziquone SCHEMBL322828 0.87 DNMT1 (0.42) DNMT1TP53MAPTHTTSTAT3
Triaziquone SCHEMBL16419 0.86 MAPT (0.42) DNMT1TP53MAPTHTTSTAT3
Triaziquone SCHEMBL10583104 0.86 DNMT1 (0.47) DNMT1TP53MAPTHTTSTAT3
Triaziquone SCHEMBL4608905 0.86 DNMT1 (0.43) DNMT1TP53MAPTHTTSTAT3
Triaziquone SCHEMBL10414999 0.85 MAPT (0.41) DNMT1TP53MAPTHTTSTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113304132-A Special dialysate for treating cardiovascular and cerebrovascular diseases of renal dialysis patients 北京畅盛医药科技有限公司 2021-08-27 CN disclosed
WO-2020166678-A1 COSMETIC INGREDIENT, COSMETIC, AND PRODUCTION METHOD FOR COSMETIC ミヨシ油脂株式会社 2020-08-20 WO disclosed
EP-1165636-A4 BISMUTH CARBOXYLATES AS CATALYSTS FOR CROSSLINKED BLOCKED ISOCYANATE WATERBONE COATINGS KING INDUSTRIES INC (US) 2004-05-26 EP disclosed
EP-1165636-A1 BISMUTH CARBOXYLATES AS CATALYSTS FOR CROSSLINKED BLOCKED ISOCYANATE WATERBONE COATINGS King Industries, Inc. (US) 2002-01-02 EP disclosed
WO-2000047642-A1 BISMUTH CARBOXYLATES AS CATALYSTS FOR CROSSLINKED BLOCKED ISOCYANATE WATERBONE COATINGS KING INDUSTRIES, INC. (US) 2000-08-17 WO disclosed