SCHEMBL8326133

SCHEMBL8326133

O=C(O)/C=C/c1ccc(Cc2nc3cc(N4CCCCC4)ccc3[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.52
HDAC4 P56524 6/20 0.52
HDAC3 O15379 4/20 0.52
HDAC7 Q8WUI4 4/20 0.52
HDAC2 Q92769 4/20 0.52
HDAC10 Q969S8 4/20 0.52
HDAC11 Q96DB2 4/20 0.52
HDAC8 Q9BY41 4/20 0.52
HDAC6 Q9UBN7 4/20 0.52
HDAC9 Q9UKV0 4/20 0.52
HDAC5 Q9UQL6 4/20 0.52
HPGD P15428 1/20 0.46
ESR1 P03372 1/20 0.45
PTGS2 P35354 1/20 0.43
MEF2D Q14814 2/20 0.40
ACHE P22303 1/20 0.39
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
TBXAS1 P24557 1/20 0.38
KIF11 P52732 1/20 0.38

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
SCHEMBL8320097 0.90 HDAC1 (0.50) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL8321374 0.80 HDAC1 (0.56) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL8326510 0.80 HDAC1 (0.58) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL8326119 0.80 HDAC1 (0.46) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL8325208 0.78 HDAC1 (0.47) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL8324002 0.78 HDAC1 (0.59) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL8319534 0.78 HDAC1 (0.52) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL8324999 0.77 HDAC1 (0.53) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL8327709 0.77 HDAC1 (0.53) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL8318679 0.77 HDAC1 (0.53) HDAC1HDAC4HDAC3HDAC7HDAC2

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-2004063169-A1 HYDROXAMID ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-07-29 WO disclosed