Triaziquone

Triaziquone

SCHEMBL6009839

O=C(O[Hg])C(F)(F)F.O=C1C=C(N2CC2)C(=O)C(N2CC2)=C1N1CC1

nearest known ligand 0.34

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
STAT3 P40763 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.31
APAF1 O14727 1/20 0.31
NPC1 O15118 1/20 0.31
TDP2 O95551 1/20 0.31
NSD2 O96028 1/20 0.31
PLA2G1B P04054 1/20 0.31
HSP90AA1 P07900 1/20 0.31
PLCG1 P19174 1/20 0.31
RAB9A P51151 1/20 0.31
GALK1 P51570 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
PDIA6 Q15084 1/20 0.31
HKDC1 Q2TB90 1/20 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 SCHEMBL1462397 0.84 DNMT1 (0.38) DNMT1TP53MAPTSTAT3HTT
Triaziquone SCHEMBL15269829 0.83 DNMT1 (0.37) DNMT1TP53MAPTSTAT3HTT
Triaziquone SCHEMBL249462 0.82 DNMT1 (0.36) DNMT1TP53MAPTSTAT3HTT
Triaziquone SCHEMBL4608905 0.79 DNMT1 (0.43) DNMT1TP53MAPTSTAT3HTT
Triaziquone SCHEMBL8303 0.79 DNMT1 (0.48) DNMT1TP53MAPTSTAT3HTT
Triaziquone SCHEMBL1869724 0.78 DNMT1 (0.38) DNMT1TP53MAPTSTAT3HTT
Triaziquone SCHEMBL8926769 0.77 DNMT1 (0.42) DNMT1TP53MAPTSTAT3HTT
Triaziquone SCHEMBL738610 0.77 DNMT1 (0.42) DNMT1TP53MAPTSTAT3HTT
Triaziquone SCHEMBL1538515 0.77 DNMT1 (0.47) DNMT1TP53MAPTSTAT3HTT
Triaziquone SCHEMBL6000230 0.77 DNMT1 (0.47) DNMT1TP53MAPTSTAT3HTT

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
EP-1732864-A1 RADIOLABELED 3-¬3- (BENZOYL-AMIDO) BENZYLOXY| ASPARTIC ACID DERIVATIVE AND METHOD OF PRODUCING THE SAME SUNTORY LIMITED (JP) 2006-12-20 EP disclosed
WO-2005090268-A1 RADIOLABELED 3-[3-(BENZOYL-AMIDO)BENZYLOXY]ASPARTIC ACID DERIVATIVE AND METHOD OF PRODUCING THE SAME SUNTORY LIMITED (JP) 2005-09-29 WO disclosed