SCHEMBL3245592

SCHEMBL3245592

CC(C)(C)OC(=O)CN1C(=O)CCc2cc(Br)cnc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MET P08581 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
MAPT P10636 1/20 0.35
GAA P10253 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
FGFR4 P22455 1/20 0.33
CCKBR P32239 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
MAPK1 P28482 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
SCHEMBL3240923 0.82 MET (0.38) ALDH1A1KDM4EMETCCKBRMAPK1
SCHEMBL3248520 0.81 HDAC1 (0.38) ALDH1A1MAPTGAAHDAC1HDAC8
SCHEMBL13521678 0.81 HTT (0.39) ALDH1A1KDM4EGAAAAK1MAPK1
SCHEMBL30507033 0.80 FNTA (0.38) KDM4EFNTAFNTBMAPTAAK1
SCHEMBL25316077 0.80 FNTA (0.38) KDM4EFNTAFNTBMAPTAAK1
SCHEMBL30506707 0.79 HDAC1 (0.34) ALDH1A1KDM4EMAPTGAAHDAC1
SCHEMBL25316939 0.79 HDAC1 (0.34) ALDH1A1KDM4EMAPTGAAHDAC1
SCHEMBL3310478 0.79 MAPT (0.54) ALDH1A1METMAPTGAAHDAC1
SCHEMBL3240957 0.78 GRIN2B (0.41) METMAPK1
SCHEMBL23320864 0.76 MAPT (0.44) ALDH1A1METMAPTGAAHDAC1

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
WO-2010008777-A2 FUSED AZABICYCLIC PYRIDINES LIGAND PHARMACEUTICALS INC. (US) 2010-01-21 WO disclosed