SCHEMBL30613360

SCHEMBL30613360

COc1ccc(CNC(=O)c2cc(N)ccc2O)cc1F

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
HPGD P15428 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAOB P27338 1/20 0.51
CHRM4 P08173 4/20 0.50
ALOX5 P09917 1/20 0.47
PDE10A Q9Y233 1/20 0.46
APEX1 P27695 1/20 0.46
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46

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
SCHEMBL29105336 1.00 ALDH1A1 (0.54) ALDH1A1LMNAHPGDMAPK1HTT
SCHEMBL21014263 0.81 HPGD (0.65) ALDH1A1LMNAHPGDMAPK1HTT
SCHEMBL29105294 0.81 MAPK1 (0.49) ALDH1A1LMNAHPGDMAPK1HTT
SCHEMBL30613355 0.81 MAPK1 (0.49) ALDH1A1LMNAHPGDMAPK1HTT
SCHEMBL4925865 0.80 KMT2A (0.54) ALDH1A1LMNAHPGDHTTSMN1; SMN2
SCHEMBL4925058 0.79 ALOX5 (0.52) ALDH1A1LMNAHPGDHTTSMN1; SMN2
SCHEMBL17039506 0.77 LMNA (0.50) ALDH1A1LMNAHPGDMAPK1HTT
SCHEMBL16135725 0.76 LMNA (0.74) ALDH1A1LMNAHPGDMAPK1HTT
SCHEMBL17039511 0.76 MAOB (0.47) ALDH1A1LMNAHPGDMAPK1HTT
SCHEMBL23417918 0.76 ALDH1A1 (0.58) ALDH1A1LMNAHPGDMAPK1HTT

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-116768791-A Amide aldehyde dehydrogenase agonist, synthesis method and application thereof 中国人民解放军海军军医大学 2023-09-19 CN disclosed