SCHEMBL8319480

SCHEMBL8319480

O=C(/C=C/c1ccc(Cc2nc(CN3CCCCC3)c(-c3ccccc3)[nH]2)cc1)NOC1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.42
KCNH2 Q12809 5/20 0.42
HDAC8 Q9BY41 7/20 0.38
HDAC6 Q9UBN7 7/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
MGLL Q99685 1/20 0.37
CHRM1 P11229 1/20 0.36
HTR2A P28223 1/20 0.36
MCHR1 Q99705 1/20 0.36
KDM1A O60341 2/20 0.36
RAB9A P51151 1/20 0.35
PDE8B O95263 2/20 0.35

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
SCHEMBL8327938 0.87 HDAC1 (0.39) HDAC1KCNH2HDAC8HDAC6HDAC3
SCHEMBL8322776 0.84 MGLL (0.40) HDAC1KCNH2HDAC8HDAC6HDAC3
SCHEMBL8323569 0.82 MGLL (0.41) HDAC1KCNH2HDAC8HDAC6HDAC3
SCHEMBL8323071 0.81 HSP90AA1 (0.42) HDAC1KCNH2HDAC8HDAC6HDAC3
SCHEMBL8323965 0.80 HDAC1 (0.41) HDAC1KCNH2HDAC8HDAC6HDAC3
SCHEMBL8322800 0.79 MGLL (0.41) HDAC1KCNH2HDAC8HDAC6HDAC3
SCHEMBL8325172 0.79 HDAC1 (0.49) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL8319218 0.79 HDAC1 (0.40) HDAC1KCNH2HDAC8HDAC6HDAC3
SCHEMBL8318949 0.79 HDAC8 (0.37) HDAC1KCNH2HDAC8HDAC6HDAC3
SCHEMBL8324625 0.79 HDAC1 (0.55) HDAC1KCNH2HDAC8HDAC6HDAC3

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