SCHEMBL8320543

SCHEMBL8320543

CN(C)Cc1nc(Cc2ccc(/C=C/C(=O)O)cc2)[nH]c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.44
HDAC6 Q9UBN7 4/20 0.44
HDAC4 P56524 3/20 0.44
HDAC1 Q13547 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
TBXAS1 P24557 2/20 0.42
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
PTPN1 P18031 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 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
SCHEMBL8320490 0.91 HDAC1 (0.57) HDAC3HDAC6HDAC4HDAC1HDAC7
SCHEMBL8323071 0.80 HSP90AA1 (0.42) HDAC3HDAC6HDAC4HDAC1HDAC7
SCHEMBL8322757 0.79 RNASEH1 (0.52) HDAC3HDAC6HDAC4HDAC1HDAC7
SCHEMBL8322679 0.78 RAB9A (0.46) HDAC3HDAC6HDAC4HDAC1HDAC7
SCHEMBL8319908 0.77 HDAC1 (0.64) HDAC3HDAC6HDAC4HDAC1HDAC7
SCHEMBL8319616 0.76 HDAC1 (0.57) HDAC3HDAC6HDAC4HDAC1HDAC7
SCHEMBL8325026 0.74 HDAC3 (0.48) HDAC3HDAC6HDAC4HDAC1HDAC7
SCHEMBL8319321 0.74 HDAC3 (0.42) HDAC3HDAC6HDAC4HDAC1HDAC7
SCHEMBL8326651 0.73 HDAC1 (0.41) HDAC3HDAC6HDAC4HDAC1HDAC7
SCHEMBL8324002 0.72 HDAC1 (0.59) HDAC3HDAC6HDAC4HDAC1HDAC7

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