Triaziquone

Triaziquone

SCHEMBL8660724

O=C1C=C(N2CC2)C(=O)C(N2CC2)=C1N1CC1.[Os].c1cnc2c(c1)ccc1cccnc12

nearest known ligand 0.44

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HIF1A Q16665 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALOX15 P16050 2/20 0.44
GMNN O75496 1/20 0.44
TP53 P04637 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
NFKB1 P19838 1/20 0.44
MMP8 P22894 1/20 0.44
CCR1 P32246 1/20 0.44
THPO P40225 1/20 0.44

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 SCHEMBL17164998 0.97 TSHR (0.44) TSHRKDM4ELMNACYP3A4CYP2D6
Triaziquone SCHEMBL8664578 0.97 TSHR (0.44) TSHRKDM4ELMNACYP3A4CYP2D6
Triaziquone SCHEMBL11763401 0.91 PDE10A (0.40) TSHRKDM4ELMNACYP3A4CYP2D6
Triaziquone SCHEMBL9121403 0.90 ALDH1A1 (0.40) TSHRKDM4ELMNACYP3A4CYP2D6
Triaziquone SCHEMBL60990 0.87 KDM4E (0.54) TSHRKDM4ELMNACYP3A4CYP2D6
Triaziquone SCHEMBL4773780 0.86 KDM4E (0.52) TSHRKDM4ELMNACYP3A4CYP2D6
Triaziquone SCHEMBL2330689 0.86 KDM4E (0.52) TSHRKDM4ELMNACYP3A4CYP2D6
Triaziquone SCHEMBL16818404 0.86 KDM4E (0.52) TSHRKDM4ELMNACYP3A4CYP2D6
Triaziquone SCHEMBL1991925 0.86 KDM4E (0.52) TSHRKDM4ELMNACYP3A4CYP2D6
Triaziquone SCHEMBL312861 0.86 KDM4E (0.52) TSHRKDM4ELMNACYP3A4CYP2D6

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-5776672-A Gene detection method KABUSHIKI KAISHA TOSHIBA (JP) 1998-07-07 US disclosed
EP-0478319-B1 Gene detection method TOSHIBA KK (JP) 1997-04-02 EP disclosed
WO-1996035697-A1 ELECTROCHEMILUMINESCENT METAL CHELATE LABELS AND MEANS FOR DETECTION IGEN, INC. (US) 1996-11-14 WO disclosed
EP-0478319-A1 Gene detection method KABUSHIKI KAISHA TOSHIBA (JP) 1992-04-01 EP disclosed