SCHEMBL9874772

SCHEMBL9874772

CCCN(CCC)C(=O)CC(C)Nc1c(C(=O)OCC)cnc2ccc(Cl)nc12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
DYRK1A Q13627 14/20 0.42
MELK Q14680 4/20 0.41
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL9875116 0.88 GAA (0.44) GAAKDM4EMEN1KMT2ADYRK1A
SCHEMBL9875111 0.84 GAA (0.44) GAAKDM4EMEN1KMT2ANPSR1
SCHEMBL9177795 0.79 DYRK1A (0.45) GAAKDM4EMEN1KMT2ADYRK1A
SCHEMBL9315945 0.75 MEN1 (0.48) GAAKDM4EMEN1KMT2ADYRK1A
SCHEMBL2280172 0.74 KMT2A (0.54) GAAKDM4EMEN1KMT2ADYRK1A
SCHEMBL9872808 0.73 KMT2A (0.40) GAAKDM4EMEN1KMT2ANPSR1
SCHEMBL29810205 0.73 DYRK1A (0.50) GAAKDM4EMEN1KMT2ADYRK1A
SCHEMBL29810202 0.73 DYRK1A (0.50) GAAKDM4EMEN1KMT2ADYRK1A
SCHEMBL6286366 0.73 DYRK1A (0.50) GAAKDM4EMEN1KMT2ADYRK1A
SCHEMBL23383058 0.73 MAPT (0.37) GAAKDM4EMEN1KMT2ADYRK1A

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
US-5026711-A Prevention and treatment of cardiovascular disorders and infections states; anxiolytic and anti-allergic agents SANOFI (FR) 1991-06-25 US disclosed