SCHEMBL8324510

SCHEMBL8324510

CC(C)(C)OC(=O)/C=C/c1ccc(Cc2nc(Br)c(-c3ccccc3)[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.44
HDAC6 Q9UBN7 4/20 0.44
HDAC3 O15379 3/20 0.44
HDAC4 P56524 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC10 Q969S8 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC9 Q9UKV0 3/20 0.44
HDAC5 Q9UQL6 3/20 0.44
NR1H4 Q96RI1 4/20 0.41
MAPT P10636 3/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL8324376 0.85 RNASEH1 (0.47) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL8325041 0.82 HDAC3 (0.42) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL8326651 0.78 HDAC1 (0.41) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL8325020 0.78 NR1H4 (0.45) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL8320578 0.78 MAPT (0.47) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL8324344 0.76 HDAC8 (0.41) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL19244215 0.74 HDAC2 (0.54) HDAC1HDAC6HDAC2NR1H4LMNA
SCHEMBL19244214 0.74 HDAC2 (0.54) HDAC1HDAC6HDAC2NR1H4LMNA
SCHEMBL8326338 0.73 HDAC1 (0.58) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL8324028 0.72 NR1H4 (0.40) HDAC1HDAC6HDAC3HDAC4HDAC7

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