SCHEMBL28089970

SCHEMBL28089970

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

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL28079730 0.85 MEN1 (0.36) MEN1GAAKMT2A
SCHEMBL28815743 0.82 MEN1 (0.38) MEN1GAAKMT2A
SCHEMBL27992358 0.74 BACE1 (0.31) MEN1GAAKMT2A
SCHEMBL28815746 0.72 BACE1 (0.33) MEN1GAAKMT2A
Ethane SCHEMBL27992354 0.72 BACE1 (0.30) MEN1GAAKMT2A
SCHEMBL28089973 0.72 MEN1 (0.35) MEN1GAAKMT2A
SCHEMBL27992357 0.72 BACE1 (0.32)
SCHEMBL27908042 0.69 BACE1 (0.34) MEN1GAAKMT2A
SCHEMBL27992341 0.68 BACE1 (0.36) MEN1GAAKMT2A
SCHEMBL469922 0.68 KDM4E (0.33) GAA

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