Triaziquone

Triaziquone

SCHEMBL8773542

O=C1C=C(N2CC2)C(=O)C(N2CC2)=C1N1CC1.P.[Pd]

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.46
MAPT P10636 3/20 0.43
HTT P42858 2/20 0.43
TP53 P04637 1/20 0.43
STAT3 P40763 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
APAF1 O14727 2/20 0.38
TDP2 O95551 2/20 0.38
NSD2 O96028 2/20 0.38
HKDC1 Q2TB90 2/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GALK1 P51570 1/20 0.36
BLM P54132 1/20 0.36
ATM Q13315 1/20 0.36
NOD2 Q9HC29 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
CYP1A2 P05177 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 SCHEMBL19995413 0.96 DNMT1 (0.46) DNMT1MAPTHTTTP53STAT3
Triaziquone SCHEMBL8303 0.96 DNMT1 (0.48) DNMT1MAPTHTTTP53STAT3
Triaziquone SCHEMBL11666227 0.94 APAF1 (0.44) DNMT1MAPTHTTTP53STAT3
Triaziquone SCHEMBL5054475 0.93 DNMT1 (0.47) DNMT1MAPTHTTTP53STAT3
Triaziquone SCHEMBL6000230 0.93 DNMT1 (0.47) DNMT1MAPTHTTTP53STAT3
Triaziquone SCHEMBL8993238 0.93 DNMT1 (0.47) DNMT1MAPTHTTTP53STAT3
Triaziquone SCHEMBL1538515 0.93 DNMT1 (0.47) DNMT1MAPTHTTTP53STAT3
Triaziquone SCHEMBL8482641 0.93 DNMT1 (0.47) DNMT1MAPTHTTTP53STAT3
Triaziquone SCHEMBL7738777 0.93 DNMT1 (0.47) DNMT1MAPTHTTTP53STAT3
Triaziquone SCHEMBL3101456 0.93 DNMT1 (0.47) DNMT1MAPTHTTTP53STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5696304-A REACTING CONJUGATED ALKADIENOL WITH WATER USING PALLADIUM CATALYST IN LOW BOILING REACTION SOLVENT, THEN DISTILLATION MITSUBISHI CHEMICAL CORPORATION (JP) 1997-12-09 US disclosed
EP-0605735-B1 PROCESS FOR PRODUCING ALKADIENOL MITSUBISHI CHEM CORP (JP) 1997-11-05 EP disclosed
US-5557016-A HYDROXYLATION OF CONJUGATED ALKADIENES IN THE PRESENCE OF PALLADIUM CATALYSIS MITSUBISHI KASEI CORPORATION (JP) 1996-09-17 US disclosed
EP-0605735-A1 PROCESS FOR PRODUCING ALKADIENOL Mitsubishi Chemical Corporation (JP) 1994-07-13 EP disclosed