SCHEMBL5796094

SCHEMBL5796094

COC(=O)c1ccc(C=C(CNc2cnc3c(Br)cccc3c2)C(O)c2cccc3ccccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
ABL1 P00519 2/20 0.38
SRC P12931 1/20 0.38
PSMD14 O00487 1/20 0.36
ALDH1A1 P00352 7/20 0.36
MAPT P10636 6/20 0.36
RAB9A P51151 6/20 0.36
NPC1 O15118 5/20 0.36
HPGD P15428 4/20 0.36
SMN1; SMN2 Q16637 4/20 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
SCHEMBL5797415 0.91 HDAC6 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5824279 0.84 KRAS (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5796420 0.83 HDAC6 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5795706 0.83 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5795454 0.81 KMT2A (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5795576 0.78 HDAC6 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5797757 0.75 MEN1 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5795528 0.74 HDAC6 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5799788 0.74 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5799787 0.74 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2

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-2006025683-A1 ARYLAMINOMETHYL PROPENYL BENZHYDROXYAMID DERIVATIVES WITH INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-09 WO disclosed