Triaziquone

SCHEMBL14237247

CC(=O)OC1CC(C)(C)N(O)C(C)(C)C1.O=C1C=C(N2CC2)C(=O)C(N2CC2)=C1N1CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	KMT2A	Q03164	2/20	0.39

▸	TSHR	P16473	2/20	0.39

▸	GAA	P10253	2/20	0.39

▸	HTT	P42858	2/20	0.39

▸	ALDH1A1	P00352	1/20	0.38

▸	ESR1	P03372	1/20	0.38

▸	HSD17B10	Q99714	1/20	0.38

▸	MEN1	O00255	1/20	0.35

▸	TP53	P04637	1/20	0.30

▸	MAPT	P10636	1/20	0.30

▸	STAT3	P40763	1/20	0.30

▸	SMN1; SMN2	Q16637	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.

Compound	similarity	top predicted	shared targets
Triaziquone SCHEMBL14237202	0.83	TP53 (0.35)	GAAHTTALDH1A1TP53MAPT
Triaziquone SCHEMBL14237183	0.77	MAPT (0.36)	HTTALDH1A1TP53MAPTSTAT3
Triaziquone SCHEMBL7760784	0.76	HTT (0.37)	KMT2AHTTALDH1A1MEN1TP53
SCHEMBL241284	0.76	KMT2A (0.50)	KMT2ATSHRGAAHTTALDH1A1
Triaziquone SCHEMBL18260142	0.75	HTT (0.38)	KMT2ATSHRHTTALDH1A1MEN1
Triaziquone SCHEMBL16419	0.74	MAPT (0.42)	KMT2ATSHRGAAHTTALDH1A1
Triaziquone SCHEMBL11422311	0.74	MAPT (0.42)	KMT2ATSHRGAAHTTALDH1A1
Triaziquone SCHEMBL7147458	0.73	ALDH1A1 (0.31)	TSHRALDH1A1MAPT
Triaziquone SCHEMBL10414999	0.73	MAPT (0.41)	KMT2ATSHRGAAHTTALDH1A1
Triaziquone SCHEMBL11237492	0.73	MAPT (0.41)	KMT2ATSHRHTTALDH1A1MEN1

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1680541-B1	STABILIZED BODY CARE PRODUCTS, HOUSEHOLD PRODUCTS, TEXTILES AND FABRICS	BASF SE (DE)	2012-12-19	—	—	EP	claimed