SCHEMBL23638441

SCHEMBL23638441

CC1(C)OB(c2ccc3nn(CCO)cc3c2)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
HDAC6 Q9UBN7 1/20 0.37
LPL P06858 9/20 0.36
LIPG Q9Y5X9 9/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
IRAK4 Q9NWZ3 3/20 0.35
SNCA P37840 1/20 0.35
F11 P03951 1/20 0.35
ROCK1 Q13464 1/20 0.33
EGFR P00533 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
SCHEMBL23638410 0.89 FFAR1 (0.35) FFAR1HDAC6LPLLIPGIDO1
SCHEMBL31394882 0.88 LPL (0.43) FFAR1LPLLIPGIDO1TDO2
SCHEMBL17113584 0.85 LPL (0.41) FFAR1LPLLIPGIDO1TDO2
SCHEMBL23529729 0.85 SNCA (0.38) FFAR1LPLLIPGIDO1TDO2
SCHEMBL23546464 0.85 LPL (0.35) FFAR1LPLLIPGIDO1TDO2
SCHEMBL30928610 0.84 IDO1 (0.39) FFAR1LPLLIPGIDO1TDO2
SCHEMBL23638437 0.83 IDO1 (0.37) FFAR1LPLLIPGIDO1TDO2
SCHEMBL28877894 0.82 FFAR1 (0.37) FFAR1LPLLIPGIDO1TDO2
SCHEMBL17437290 0.82 FFAR1 (0.57) FFAR1LPLLIPGIDO1TDO2
SCHEMBL28807184 0.82 HDAC3 (0.44) FFAR1LPLLIPGIDO1TDO2

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