Triaziquone

Triaziquone

SCHEMBL8763030

CSCCC(N)C(=O)O.O=C(O)C(F)(F)F.O=C1C=C(N2CC2)C(=O)C(N2CC2)=C1N1CC1

nearest known ligand 0.45

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.31
DPP7 Q9UHL4 3/20 0.31
DPP8 Q6V1X1 2/20 0.31
DPP9 Q86TI2 1/20 0.31
GRB2 P62993 1/20 0.30
BHMT Q93088 5/20 0.30
BHMT2 Q9H2M3 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALOX15 P16050 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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 SCHEMBL8763013 0.83 SMN1; SMN2 (0.38)
Triaziquone SCHEMBL1462397 0.80 DNMT1 (0.38)
Triaziquone SCHEMBL15269829 0.79 DNMT1 (0.37)
Triaziquone SCHEMBL8330857 0.78 GRM8 (0.47) DPP4DPP7DPP8DPP9BHMT
Methionine SCHEMBL8763034 0.76 BHMT (0.47) BHMTBHMT2NOS3NOS1NOS2
Racemethionine SCHEMBL8589228 0.76 BHMT (0.47) BHMTBHMT2NOS3NOS1NOS2
Methionine SCHEMBL8589231 0.76 BHMT (0.47) BHMTBHMT2NOS3NOS1NOS2
Triaziquone SCHEMBL3641977 0.76 DNMT1 (0.31)
Triaziquone SCHEMBL9016339 0.75 DNMT1 (0.36) DPP4DPP7
Triaziquone SCHEMBL11583629 0.72 DNMT1 (0.41)

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
EP-0783517-A2 THIOL-FREE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1997-07-16 EP disclosed