SCHEMBL8291344

SCHEMBL8291344

COc1ccc(NCc2ccc(C(=O)Nc3cc(-c4ccc(CCC(C)(C)[Si](C)(C)O)cc4)ccc3[N+](=O)[O-])cc2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.55
HDAC2 Q92769 7/20 0.55
ABCB1 P08183 4/20 0.46
ABCC1 P33527 1/20 0.45
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 5/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL1065624 0.85 HDAC1 (0.56) HDAC1HDAC2ABCB1ABCC1MEN1
SCHEMBL8293246 0.81 HDAC1 (0.51) HDAC1HDAC2ABCB1MEN1ALDH1A1
SCHEMBL1067128 0.80 HDAC1 (0.77) HDAC1HDAC2ABCB1ABCC1MEN1
SCHEMBL8292282 0.80 HDAC1 (0.62) HDAC1HDAC2ABCB1MEN1ALDH1A1
SCHEMBL1066863 0.80 HDAC1 (0.61) HDAC1HDAC2ABCB1ABCC1MEN1
SCHEMBL1066464 0.79 HDAC1 (0.58) HDAC1HDAC2ABCB1MEN1ALDH1A1
SCHEMBL12963062 0.78 HDAC1 (0.59) HDAC1HDAC2ABCB1MEN1ALDH1A1
SCHEMBL1061676 0.76 HDAC1 (0.56) HDAC1HDAC2ABCB1MEN1ALDH1A1
SCHEMBL8292257 0.76 HDAC1 (0.54) HDAC1HDAC2ABCB1MEN1ALDH1A1
SCHEMBL1067034 0.75 HDAC1 (0.51) HDAC1HDAC2ABCB1MEN1ALDH1A1

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-2005030704-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 WO disclosed