SCHEMBL5799057

SCHEMBL5799057

O=C(NO)c1ccc(C=C(CNc2cccc3cccnc23)CC(O)c2cccc3ccccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 14/20 0.52
HDAC3 O15379 4/20 0.52
HDAC1 Q13547 4/20 0.52
HDAC2 Q92769 4/20 0.52
HDAC4 P56524 3/20 0.52
HDAC7 Q8WUI4 3/20 0.52
HDAC10 Q969S8 3/20 0.52
HDAC11 Q96DB2 3/20 0.52
HDAC8 Q9BY41 3/20 0.52
HDAC9 Q9UKV0 3/20 0.52
HDAC5 Q9UQL6 3/20 0.52
NCOR2 Q9Y618 2/20 0.52
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDR P35968 2/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 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
SCHEMBL5797634 0.91 MAPT (0.44) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL5819578 0.90 HDAC6 (0.41) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL5797676 0.83 HDAC6 (0.42) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL5796337 0.82 HDAC6 (0.38) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL5807013 0.82 HDAC6 (0.52) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL5807010 0.82 HDAC6 (0.52) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL5796597 0.81 MAPT (0.43) MAPTKDM4ESMN1; SMN2POLBKMT2A
SCHEMBL5799447 0.80 HDAC6 (0.43) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL5797642 0.80 HDAC6 (0.44) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL5806973 0.78 HDAC6 (0.64) HDAC6HDAC3HDAC1HDAC2HDAC4

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 claimed