SCHEMBL5799320

SCHEMBL5799320

O=C(NO)c1ccc(C=C(CC(O)c2cccc3ccccc23)CN2CCCC2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.40
P2RX3 P56373 1/20 0.40
HDAC6 Q9UBN7 9/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC3 O15379 2/20 0.38
HTT P42858 1/20 0.38
PER2 O15055 2/20 0.37
LMNA P02545 1/20 0.37
HDAC8 Q9BY41 4/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
NAMPT P43490 2/20 0.35
NQO2 P16083 1/20 0.35

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
SCHEMBL5797409 0.91 HTT (0.40) HTTPER2LMNANQO2
SCHEMBL5798794 0.89 NQO2 (0.40) HTTPER2LMNANQO2
SCHEMBL5796847 0.82 HDAC6 (0.40) HDAC1P2RX3HDAC6HDAC2HDAC3
SCHEMBL5813402 0.81 P2RX3 (0.49) HDAC1P2RX3HDAC6HDAC2HDAC3
SCHEMBL5813399 0.81 P2RX3 (0.49) HDAC1P2RX3HDAC6HDAC2HDAC3
SCHEMBL5797676 0.78 HDAC6 (0.42) HDAC1P2RX3HDAC6HDAC2HDAC3
SCHEMBL5797675 0.77 HDAC6 (0.42) HDAC1P2RX3HDAC6HDAC2HDAC3
SCHEMBL5797353 0.77 P2RX3 (0.50) HDAC1P2RX3HDAC6HDAC2HDAC3
SCHEMBL5799447 0.75 HDAC6 (0.43) HDAC1P2RX3HDAC6HDAC2HDAC3
SCHEMBL5797642 0.75 HDAC6 (0.44) HDAC1P2RX3HDAC6HDAC2HDAC3

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