SCHEMBL14775864

SCHEMBL14775864

CCCCCCCC(=O)Nc1ccc2cccnc2c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.58
HDAC3 O15379 3/20 0.58
HDAC4 P56524 3/20 0.58
HDAC1 Q13547 3/20 0.58
HDAC7 Q8WUI4 3/20 0.58
HDAC2 Q92769 3/20 0.58
HDAC10 Q969S8 3/20 0.58
HDAC11 Q96DB2 3/20 0.58
HDAC8 Q9BY41 3/20 0.58
HDAC9 Q9UKV0 3/20 0.58
HDAC5 Q9UQL6 3/20 0.58
HSP90AA1 P07900 5/20 0.54
RAB9A P51151 5/20 0.54
NPC1 O15118 3/20 0.54
PAX8 Q06710 2/20 0.54
KMT2A Q03164 2/20 0.54
HTT P42858 1/20 0.54
EP300 Q09472 1/20 0.52
SAE1 Q9UBE0 1/20 0.52
UBA2 Q9UBT2 1/20 0.52

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
SCHEMBL9545906 0.86 HDAC1 (0.77) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL14775853 0.83 EPHX1 (0.52) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL9755456 0.81 DEGS1 (0.54) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL28601651 0.81 HTT (0.76) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL15923232 0.80 HDAC1 (0.67) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL18788282 0.80 HDAC6 (0.54) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL18788303 0.80 HDAC6 (0.54) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL15444290 0.80 HDAC6 (0.54) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL18788301 0.80 HDAC6 (0.54) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL4897111 0.80 HDAC6 (0.54) HDAC6HDAC3HDAC4HDAC1HDAC7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963272-B1 HYDROXYQUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-03-20 EP claimed
EP-1963272-B1 HYDROXYQUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-03-20 EP disclosed