SCHEMBL5807010

SCHEMBL5807010

O=C(NO)c1ccc(/C=C(\CCOc2cccc3ccccc23)CNc2cccc3cccnc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 14/20 0.52
HDAC1 Q13547 5/20 0.52
HDAC3 O15379 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
P2RX3 P56373 1/20 0.45
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDR P35968 1/20 0.41
KMT2A Q03164 2/20 0.40
POLB P06746 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
SCHEMBL5807013 1.00 HDAC6 (0.52) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL5812473 0.91 P2RX3 (0.46) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL5812471 0.91 P2RX3 (0.46) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL5810050 0.90 P2RX3 (0.49) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL5810052 0.90 P2RX3 (0.49) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL5796800 0.90 ALDH1A1 (0.46) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL5796804 0.90 ALDH1A1 (0.46) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL5795607 0.85 P2RX3 (0.51) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL5795610 0.85 P2RX3 (0.51) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL5799982 0.84 P2RX3 (0.45) HDAC6HDAC1HDAC3HDAC2HDAC4

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