SCHEMBL8318949

SCHEMBL8318949

O=C(/C=C/c1ccc(Cc2nc(Cl)c(-c3ccc(O)cc3)[nH]2)cc1)NOC1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.37
HDAC1 Q13547 4/20 0.37
HDAC3 O15379 3/20 0.37
HDAC4 P56524 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
HDAC5 Q9UQL6 3/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
TGFBR1 P36897 1/20 0.34
MGLL Q99685 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33

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 0.82 HDAC1 (0.39) HDAC8HDAC1HDAC3HDAC4HDAC6
SCHEMBL8322776 0.81 MGLL (0.40) HDAC8HDAC1HDAC3HDAC4HDAC6
SCHEMBL8323566 0.80 MAPT (0.35) HDAC8HDAC1HDAC3HDAC4HDAC6
SCHEMBL8323569 0.80 MGLL (0.41) HDAC8HDAC1HDAC3HDAC4HDAC6
SCHEMBL8326528 0.80 HDAC1 (0.47) HDAC8HDAC1HDAC3HDAC4HDAC6
SCHEMBL8323871 0.80 HDAC2 (0.55) HDAC8HDAC1HDAC3HDAC4HDAC6
SCHEMBL8323882 0.79 HDAC1 (0.39) HDAC8HDAC1HDAC3HDAC4HDAC6
SCHEMBL8324785 0.79 HDAC1 (0.48) HDAC8HDAC1HDAC3HDAC4HDAC6
SCHEMBL8319480 0.79 HDAC1 (0.42) HDAC8HDAC1HDAC3HDAC4HDAC6
SCHEMBL8325172 0.78 HDAC1 (0.49) HDAC8HDAC1HDAC3HDAC4HDAC6

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