SCHEMBL5796465

SCHEMBL5796465

O=C(NO)c1ccc(C=C(CNc2cnc3ccccc3c2)CN2CCCC2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.52
HDAC1 Q13547 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDR P35968 1/20 0.40
MITF O75030 1/20 0.40
XBP1 P17861 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
SCHEMBL5797106 0.92 KDM4E (0.43) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL5813566 0.92 KDM4E (0.43) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL5799042 0.89 FAAH (0.44) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL5811979 0.83 HDAC6 (0.55) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL5811982 0.83 HDAC6 (0.55) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL5808406 0.82 HDAC6 (0.51) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL5798752 0.79 HDAC6 (0.60) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL5799738 0.79 HDAC6 (0.60) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL5808188 0.78 HDAC6 (0.74) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL5797816 0.77 HDAC6 (0.69) HDAC6HDAC1HDAC3HDAC4HDAC7

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 2 patents. 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 claimed
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