SCHEMBL8227151

SCHEMBL8227151

CC(=O)CNc1ccc(C(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CA12 O43570 1/20 0.49
CA7 P43166 1/20 0.49
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
XBP1 P17861 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
KIF11 P52732 1/20 0.47
NR1H4 Q96RI1 3/20 0.46

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
SCHEMBL130789 0.85 SMN1; SMN2 (0.53) CA1CA2HDAC1HDAC3HDAC11
SCHEMBL18282719 0.83 EPHX2 (0.53) CA1CA2CA12CA7NPC1
SCHEMBL12622715 0.83 VDR (0.50) CA1CA2HDAC1HDAC3HDAC11
SCHEMBL28493929 0.81 LMNA (0.55) CA1CA2HDAC3HDAC11HDAC8
SCHEMBL28326346 0.81 CA1 (0.48) CA1CA2HDAC1HDAC3HDAC11
SCHEMBL28326344 0.81 SMN1; SMN2 (0.49) CA1CA2HDAC1HDAC3HDAC11
SCHEMBL4582345 0.78 MAPT (0.54) CA1CA2CA12CA7NPC1
SCHEMBL12378828 0.78 MEN1 (0.52) CA1CA2CA12CA7NPC1
SCHEMBL9419326 0.78 MAPT (0.54) CA1CA2HDAC1HDAC3HDAC11
SCHEMBL23310334 0.78 POLB (0.62) CA1CA2CA12CA7NPC1

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-2008024922-A2 8-HYDROXYQUINOLINE COMPOUNDS AND METHODS THEREOF WYETH (US) 2008-02-28 WO disclosed