Triaziquone

Triaziquone

SCHEMBL10567262

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

nearest known ligand 0.40

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.40
HTT P42858 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
STAT3 P40763 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
APAF1 O14727 2/20 0.34
TDP2 O95551 2/20 0.34
NSD2 O96028 2/20 0.34
HKDC1 Q2TB90 2/20 0.34
MEN1 O00255 1/20 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
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
NOD2 Q9HC29 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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 SCHEMBL7720256 0.90 DNMT1 (0.44) DNMT1HTTTP53MAPTSTAT3
Triaziquone SCHEMBL5306870 0.89 DNMT1 (0.39) DNMT1HTTTP53MAPTSTAT3
Triaziquone SCHEMBL322828 0.87 DNMT1 (0.42) DNMT1HTTTP53MAPTSTAT3
Triaziquone SCHEMBL33439 0.86 HTT (0.42) DNMT1HTTTP53MAPTSTAT3
Triaziquone SCHEMBL11016638 0.86 DNMT1 (0.37) DNMT1HTTTP53MAPTSTAT3
Triaziquone SCHEMBL4612122 0.85 DNMT1 (0.41) DNMT1HTTTP53MAPTSTAT3
Triaziquone SCHEMBL610295 0.84 DNMT1 (0.42) DNMT1HTTTP53MAPTSTAT3
Triaziquone SCHEMBL1725782 0.84 DNMT1 (0.38) DNMT1HTTTP53MAPTSTAT3
Triaziquone SCHEMBL8670330 0.84 DNMT1 (0.36) DNMT1HTTTP53MAPTSTAT3
Triaziquone SCHEMBL11428634 0.83 DNMT1 (0.41) DNMT1HTTTP53MAPTSTAT3

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4874797-A Oligourea polyols, polyether polyols produced from them and the use of these polyols in the isocyanate polyaddition process BAYER AKTIENGESELLSCHAFT (DE) 1989-10-17 US disclosed