SCHEMBL4648976

SCHEMBL4648976

NC(=O)NN=C1C=Cc2cc(N3CCOCC3)ccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
MAPT P10636 5/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
PRKDC P78527 2/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
KMO O15229 1/20 0.36
SLC16A3 O15427 1/20 0.36
LGMN Q99538 1/20 0.36
PIK3CD O00329 1/20 0.36

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
SCHEMBL4648972 1.00 PSMD14 (0.39) PSMD14ADORA2AADORA1MAPTKDM4E
SCHEMBL4648755 0.75 PSMD14 (0.49) PSMD14ADORA2AADORA1MAPTALDH1A1
SCHEMBL4648731 0.74 KMT2A (0.39) KDM4EMEN1GAAKMT2ACA1
SCHEMBL4648727 0.74 KMT2A (0.39) KDM4EMEN1GAAKMT2ACA1
SCHEMBL8171243 0.72 NPC1 (0.55) ADORA2AADORA1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4648045 0.72 PTPRC (0.40) MAPTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL4649478 0.71 APAF1 (0.56) MAPTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL8170729 0.71 APAF1 (0.56) MAPTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL4649480 0.71 APAF1 (0.56) MAPTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL4648903 0.67 KMT2A (0.39) KDM4EMEN1GAAKMT2ACA1

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-1961738-A1 New compounds with antiglutamatergic properties and uses thereof Faust Pharmaceuticals (FR) 2008-08-27 EP disclosed