SCHEMBL5795594

SCHEMBL5795594

O=C(NO)c1ccc(C=C(CNc2cnc3ccccc3c2)COc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.57
HDAC1 Q13547 4/20 0.48
HDAC3 O15379 3/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC4 P56524 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
APP P05067 1/20 0.48
ACHE P22303 1/20 0.48
MAPT P10636 3/20 0.44
P2RX3 P56373 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL5795593 1.00 HDAC6 (0.57) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL5798752 0.93 HDAC6 (0.60) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL5799738 0.93 HDAC6 (0.60) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL5796521 0.92 PLA2G4B (0.47) HDAC6MAPTMEN1KMT2ARAB9A
SCHEMBL5796659 0.91 HDAC6 (0.56) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL5796657 0.91 HDAC6 (0.56) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL5797910 0.90 TDP1 (0.44) HDAC6MAPTMEN1KMT2ARAB9A
SCHEMBL5810902 0.88 HDAC6 (0.55) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL5796786 0.87 HDAC6 (0.54) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL5799594 0.87 HDAC6 (0.54) HDAC6HDAC1HDAC3HDAC2HDAC8

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