SCHEMBL23638477

SCHEMBL23638477

CN(Cc1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2n1C)CC1COC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.33
ALDH1A1 P00352 1/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LGALS8 O00214 1/20 0.31
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30
ROCK1 Q13464 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
SCHEMBL23638463 0.83 IRAK4 (0.39) IRAK4ALDH1A1USP2SMN1; SMN2IDO1
SCHEMBL23638379 0.81 NPC1 (0.38) ALDH1A1USP2SMN1; SMN2LGALS8
SCHEMBL29838038 0.80 USP2 (0.36) ALDH1A1USP2SMN1; SMN2LGALS8
SCHEMBL23638478 0.80 USP2 (0.36) ALDH1A1USP2SMN1; SMN2LGALS8
SCHEMBL17678259 0.76 IRAK4 (0.38) IRAK4IDO1TDO2
SCHEMBL23638264 0.76 IRAK4 (0.40) IRAK4ALDH1A1LGALS8IDO1TDO2
SCHEMBL29837912 0.74 L3MBTL1 (0.40) IRAK4ALDH1A1SMN1; SMN2LGALS8IDO1
SCHEMBL28807179 0.74 L3MBTL1 (0.40) IRAK4ALDH1A1SMN1; SMN2LGALS8IDO1
SCHEMBL23638468 0.74 IRAK4 (0.39) IRAK4LGALS8IDO1TDO2ROCK1
SCHEMBL17678163 0.74 POLB (0.44) ALDH1A1SMN1; SMN2

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-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