SCHEMBL8325376

SCHEMBL8325376

COC(=O)c1[nH]c(Cc2ccc(/C=C/C(=O)OC(C)(C)C)cc2)nc1-c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HDAC2 Q92769 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
NR1H4 Q96RI1 4/20 0.37
LMNA P02545 1/20 0.35
PTPN2 P17706 1/20 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
SCHEMBL8320556 0.87 HDAC1 (0.51) MAPTHTTTDP1ALDH1A1SMN1; SMN2
SCHEMBL8325932 0.81 HDAC1 (0.44) MAPTHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL8325041 0.80 HDAC3 (0.42) MAPTHTTALDH1A1SMN1; SMN2HDAC2
SCHEMBL8319497 0.78 MAPT (0.40) MAPTALDH1A1SMN1; SMN2KDM4EHDAC2
SCHEMBL8323566 0.77 MAPT (0.35) MAPTHTTTDP1ALDH1A1SMN1; SMN2
SCHEMBL8324344 0.76 HDAC8 (0.41) HTTHDAC2HDAC3HDAC4HDAC1
SCHEMBL8320578 0.76 MAPT (0.47) MAPTTDP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL8324376 0.76 RNASEH1 (0.47) MAPTHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL7695878 0.73 CYP1A2 (0.56) MAPTHTTALDH1A1SMN1; SMN2HDAC2
SCHEMBL804964 0.73 CYP1A2 (0.56) MAPTHTTALDH1A1SMN1; SMN2HDAC2

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