SCHEMBL6814017

SCHEMBL6814017

COc1ccc(C(NC(=O)Nc2ccc(SC)cc2)c2ccc(C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)cc2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
HDAC1 Q13547 4/20 0.40
HDAC2 Q92769 2/20 0.40
PDE4D Q08499 1/20 0.39
CHEK1 O14757 1/20 0.39
PIM1 P11309 1/20 0.39
MAPK8 P45983 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FPR2 P25090 1/20 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
SCHEMBL1064802 0.86 HDAC1 (0.54) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL1065397 0.77 HDAC1 (0.62) NR1H4MEN1KMT2AALDH1A1MAPT
SCHEMBL1064794 0.77 HDAC1 (0.56) MEN1KMT2AALDH1A1HDAC1HDAC2
SCHEMBL6814012 0.77 HDAC1 (0.43) NR1H4MEN1KMT2AALDH1A1MAPT
SCHEMBL1061919 0.76 HDAC1 (0.55) MEN1KMT2AHDAC1HDAC2PDE4D
SCHEMBL1058482 0.75 HDAC1 (0.55) MEN1KMT2ARAB9AHDAC1HDAC2
SCHEMBL1064496 0.74 ALDH1A1 (0.51) NR1H4KMT2AALDH1A1MAPTPDE4D
SCHEMBL1064879 0.72 HDAC1 (0.73) NR1H4MAPTHDAC1HDAC2NPSR1
SCHEMBL8349561 0.72 ROCK2 (0.49) NR1H4KMT2AALDH1A1RAB9APDE4D
SCHEMBL3835550 0.71 HDAC1 (0.44) HDAC1HDAC2

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-2004005513-A2 METHODS FOR SPECIFICALLY INHIBITING HISTONE DEACETYLASE-7 AND 8 METHYLGENE, INC. (CA) 2004-01-15 WO disclosed