Triaziquone

Triaziquone

SCHEMBL9541771

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

nearest known ligand 0.32

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.32
FGB P02675 1/20 0.32
MMP14 P50281 1/20 0.32
DNMT1 P26358 1/20 0.31
CYP1A2 P05177 3/20 0.31
ALOX15 P16050 3/20 0.31
THPO P40225 3/20 0.31
CASP2 P42575 2/20 0.31
MEN1 O00255 2/20 0.31
RECQL P46063 2/20 0.31
KMT2A Q03164 2/20 0.31
CA12 O43570 2/20 0.31
F13A1 P00488 2/20 0.31
CA2 P00918 2/20 0.31
CA4 P22748 2/20 0.31
CA6 P23280 2/20 0.31
CA5A P35218 2/20 0.31
CA7 P43166 2/20 0.31
CA9 Q16790 2/20 0.31
CA14 Q9ULX7 2/20 0.31

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 SCHEMBL8171951 0.91 CA12 (0.40) DNMT1CYP1A2ALOX15THPOCASP2
Triaziquone SCHEMBL1961248 0.84 DNMT1 (0.39) NSD2DNMT1CYP1A2MEN1KMT2A
Triaziquone SCHEMBL3721145 0.84 NSD2 (0.35) NSD2DNMT1TP53HTTSMN1; SMN2
Triaziquone SCHEMBL7616616 0.83 DNMT1 (0.38) NSD2DNMT1CYP1A2MEN1KMT2A
Triaziquone SCHEMBL600168 0.83 DNMT1 (0.40) NSD2DNMT1MEN1KMT2ATP53
Triaziquone SCHEMBL6830995 0.81 DNMT1 (0.39) NSD2DNMT1MEN1KMT2ATP53
Triaziquone SCHEMBL610295 0.80 DNMT1 (0.42) NSD2DNMT1CYP1A2MEN1KMT2A
Triaziquone SCHEMBL11791565 0.78 DNMT1 (0.39) NSD2DNMT1CYP1A2MEN1KMT2A
Triaziquone SCHEMBL2160619 0.78 DNMT1 (0.41) NSD2DNMT1CYP1A2MEN1KMT2A
Triaziquone SCHEMBL10379983 0.78 DNMT1 (0.41) NSD2DNMT1CYP1A2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993006294-A1 CONCENTRATED FABRIC-SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1993-04-01 WO disclosed
EP-0309052-A2 Stable biodegradable fabric softening compositions containing linear alkoxylated alcohols THE PROCTER & GAMBLE COMPANY (US) 1989-03-29 EP disclosed