SCHEMBL3353393

SCHEMBL3353393

CC(C)N1CCC(n2cc3ccc(N)cc3n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
NSD2 O96028 2/20 0.47
KDM5A P29375 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GSK3B P49841 5/20 0.35
DYRK1A Q13627 5/20 0.35
GFER P55789 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
WHR1 P49842 1/20 0.34
HRH3 Q9Y5N1 4/20 0.34
CLK2 P49760 1/20 0.33
CLK3 P49761 1/20 0.33
MAPK14 Q16539 1/20 0.33

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
SCHEMBL3354874 0.85 KDM4E (0.54) ALDH1A1MAPTKDM4ENSD2MEN1
SCHEMBL15910937 0.82 KDM4E (0.51) ALDH1A1MAPTKDM4ENSD2MEN1
SCHEMBL3351305 0.82 MAPT (0.47) ALDH1A1MAPTKDM4ENSD2KMT2A
SCHEMBL13537243 0.81 KDM5A (0.37) KDM5AGSK3BDYRK1AHRH3CLK2
SCHEMBL3357865 0.79 MAPT (0.52) ALDH1A1MAPTKDM4EKDM5AMEN1
SCHEMBL26684343 0.78 KDM4E (0.42) ALDH1A1MAPTKDM4ENSD2KDM5A
SCHEMBL30508322 0.76 TLR8 (0.40) ALDH1A1MAPTNSD2KDM5ANPC1
SCHEMBL2265239 0.76 TLR8 (0.40) KDM5AGSK3BDYRK1AHRH3MAPK14
SCHEMBL25338952 0.74 NR1H2 (0.46) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL22041254 0.72 KDM5A (0.38) ALDH1A1MAPTKDM4ENSD2KDM5A

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-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed