SCHEMBL28089973

SCHEMBL28089973

CCc1cc(CN)cc(CC)c1C(=S)C(=O)C=NN

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
BACE1 P56817 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30
CSNK2A3 Q8NEV1 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
SCHEMBL28815746 0.79 BACE1 (0.33) MEN1GAAKMT2ABACE1
SCHEMBL27992357 0.73 BACE1 (0.32) BACE1
SCHEMBL28089970 0.72 MEN1 (0.35) MEN1GAAKMT2A
SCHEMBL27992353 0.72 MEN1 (0.30) MEN1GAAKMT2A
SCHEMBL28815743 0.72 MEN1 (0.38) MEN1GAAKMT2ASMN1; SMN2
SCHEMBL27992358 0.72 BACE1 (0.31) MEN1GAAKMT2ABACE1
Ethane SCHEMBL27992354 0.71 BACE1 (0.30) MEN1GAAKMT2ABACE1
SCHEMBL27926107 0.67 BACE1 (0.37) MEN1GAAKMT2ABACE1SMN1; SMN2
SCHEMBL27992341 0.66 BACE1 (0.36) MEN1GAAKMT2ABACE1CSNK2A2
SCHEMBL27925977 0.66 BACE1 (0.36) MEN1GAAKMT2ABACE1CSNK2A2

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