SCHEMBL5799562

SCHEMBL5799562

COC(=O)c1ccc(C=C(C)CNc2cnc3ccc(CN4CCN(C)CC4)cc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.47
CHKA P35790 2/20 0.46
HDAC3 O15379 3/20 0.43
HDAC4 P56524 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC9 Q9UKV0 3/20 0.43
HDAC5 Q9UQL6 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 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
SCHEMBL5797644 0.92 HDAC6 (0.45) FAAHCHKAHDAC3HDAC4HDAC1
SCHEMBL5795694 0.91 MAPK1 (0.48) FAAHHDAC3HDAC4HDAC1HDAC7
SCHEMBL5823811 0.90 HDAC6 (0.56) FAAHCHKAHDAC3HDAC4HDAC1
SCHEMBL5799113 0.85 HDAC6 (0.48) FAAHHDAC3HDAC4HDAC1HDAC7
SCHEMBL5799111 0.85 HDAC6 (0.48) FAAHHDAC3HDAC4HDAC1HDAC7
SCHEMBL5799283 0.84 HDAC3 (0.46) FAAHHDAC3HDAC4HDAC1HDAC7
SCHEMBL5799282 0.84 HDAC3 (0.46) FAAHHDAC3HDAC4HDAC1HDAC7
SCHEMBL5807200 0.83 HDAC6 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5807203 0.83 HDAC6 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5819611 0.82 HDAC3 (0.44) FAAHHDAC3HDAC4HDAC1HDAC7

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