SCHEMBL23638468

SCHEMBL23638468

Cn1c(CCO)nc2ccc(B3OC(C)(C)C(C)(C)O3)cc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.39
LIPG Q9Y5X9 9/20 0.38
LPL P06858 8/20 0.38
HDAC6 Q9UBN7 1/20 0.36
FFAR1 O14842 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
SNCA P37840 1/20 0.34
F11 P03951 1/20 0.34
HDAC1 Q13547 1/20 0.34
MAPT P10636 1/20 0.33
LGALS8 O00214 1/20 0.33
ROCK1 Q13464 1/20 0.33

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
SCHEMBL23638264 0.90 IRAK4 (0.40) IRAK4LIPGLPLFFAR1IDO1
SCHEMBL23638435 0.90 ALDH1A1 (0.36) IRAK4LIPGLPLHDAC6FFAR1
SCHEMBL17673811 0.85 SNCA (0.38) IRAK4LIPGLPLHDAC6IDO1
SCHEMBL17678259 0.85 IRAK4 (0.38) IRAK4LIPGLPLHDAC6IDO1
SCHEMBL23638482 0.84 ESR2 (0.38) IRAK4LIPGLPLHDAC6FFAR1
SCHEMBL17678253 0.83 LMNA (0.48) MAPT
SCHEMBL28807179 0.82 L3MBTL1 (0.40) IRAK4LIPGLPLIDO1TDO2
SCHEMBL23638463 0.82 IRAK4 (0.39) IRAK4LIPGLPLFFAR1IDO1
SCHEMBL29837912 0.82 L3MBTL1 (0.40) IRAK4LIPGLPLIDO1TDO2
SCHEMBL17678254 0.82 KDM4E (0.48) IRAK4MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114901664-B Pyridone compounds and uses thereof 南京再明医药有限公司 2024-07-02 CN disclosed
CN-114901664-A Pyridone compound and application thereof 江苏先声药业有限公司 2022-08-12 CN disclosed
WO-2021139775-A1 PYRIDONE COMPOUND AND APPLICATION 江苏先声药业有限公司 2021-07-15 WO disclosed