SCHEMBL23970319

SCHEMBL23970319

CC(C)/N=C1\CCCC[C@@H]1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 7/20 0.36
GAA P10253 6/20 0.36
MAPT P10636 6/20 0.36
MAPK1 P28482 1/20 0.36
MAOB P27338 10/20 0.33
MAOA P21397 8/20 0.33
ALPG P10696 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL9897381 0.75 GAA (0.45) ALDH1A1GAAMAPTMAPK1MAOB
SCHEMBL1160567 0.75 GAA (0.45) ALDH1A1GAAMAPTMAPK1MAOB
SCHEMBL9920362 0.75 GAA (0.45) ALDH1A1GAAMAPTMAPK1MAOB
SCHEMBL9897387 0.75 GAA (0.45) ALDH1A1GAAMAPTMAPK1MAOB
SCHEMBL1160571 0.75 GAA (0.45) ALDH1A1GAAMAPTMAPK1MAOB
SCHEMBL15519422 0.75 GAA (0.45) ALDH1A1GAAMAPTMAPK1MAOB
SCHEMBL9897385 0.75 GAA (0.45) ALDH1A1GAAMAPTMAPK1MAOB
SCHEMBL1160569 0.75 GAA (0.45) ALDH1A1GAAMAPTMAPK1MAOB
SCHEMBL21030435 0.75 GAA (0.45) ALDH1A1GAAMAPTMAPK1MAOB
SCHEMBL15519424 0.75 GAA (0.45) ALDH1A1GAAMAPTMAPK1MAOB

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
EP-3904354-A1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 Perha Pharmaceuticals (FR) 2021-11-03 EP disclosed