SCHEMBL16735683

SCHEMBL16735683

CC(C)(c1ccccc1)c1ccc(CNC(=O)c2ccc3cccc(CO)c3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 8/20 0.52
HDAC1 Q13547 8/20 0.52
HDAC2 Q92769 8/20 0.52
HDAC4 P56524 7/20 0.52
HDAC7 Q8WUI4 7/20 0.52
HDAC10 Q969S8 7/20 0.52
HDAC11 Q96DB2 7/20 0.52
HDAC8 Q9BY41 7/20 0.52
HDAC6 Q9UBN7 7/20 0.52
HDAC9 Q9UKV0 7/20 0.52
HDAC5 Q9UQL6 7/20 0.52
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PIM1 P11309 2/20 0.44
LMNA P02545 2/20 0.43
RAB9A P51151 2/20 0.43
EPHX2 P34913 1/20 0.43
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.42

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
SCHEMBL18526849 0.72 COPS5 (0.61) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL3264169 0.71 KDM4E (0.62) PIM1LMNAMEN1KMT2A
SCHEMBL2297701 0.71 CHEK2 (0.35) ALDH1A1LMNARAB9AMEN1KMT2A
SCHEMBL3920912 0.70 MEN1 (0.64) HDAC3HDAC1HDAC2HDAC8HPGD
SCHEMBL12472546 0.69 HDAC3 (0.62) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL38650989 0.68 HPGD (0.60) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL21753196 0.68 HPGD (0.79) HPGDALDH1A1LMNAKMT2A
SCHEMBL3946632 0.68 HPGD (0.68) HPGDALDH1A1L3MBTL1KMT2A
SCHEMBL3121911 0.68 CA1 (0.53) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL2143875 0.67 NPC1 (0.50) HDAC1HDAC6HPGDALDH1A1PIM1

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-2519505-B1 TERTIARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES AND USES THEREOF POLICHEM SA (LU) 2015-05-27 EP claimed