SCHEMBL28079730

SCHEMBL28079730

C=NNC(=O)C(=O)c1c(CC)cc(CN)cc1CC

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
BACE1 P56817 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
SCHEMBL28089970 0.85 MEN1 (0.35) MEN1GAAKMT2A
SCHEMBL469922 0.83 KDM4E (0.33) GAASMN1; SMN2
SCHEMBL27926083 0.82 GAA (0.40) MEN1GAAKMT2ASMN1; SMN2
SCHEMBL27992124 0.81 MEN1 (0.40) MEN1GAAKMT2ASMN1; SMN2
SCHEMBL27908042 0.81 BACE1 (0.34) MEN1GAAKMT2ASMN1; SMN2BACE1
SCHEMBL27992343 0.79 MEN1 (0.33) MEN1GAAKMT2ASMN1; SMN2
SCHEMBL28089974 0.78 BACE1 (0.33) MEN1GAAKMT2ABACE1
SCHEMBL27992119 0.77 MAPT (0.32) MEN1GAAKMT2A
SCHEMBL27926107 0.75 BACE1 (0.37) MEN1GAAKMT2ASMN1; SMN2BACE1
SCHEMBL28079641 0.75 BACE1 (0.30) MEN1GAAKMT2ABACE1

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
CN-104277004-B Prepare method and its intermediate of pyridazinone compound 住友化学株式会社 2016-08-24 CN disclosed
CN-104326952-B Prepare method and its intermediate of pyridazinone compound 住友化学株式会社 2016-08-24 CN disclosed