SCHEMBL5813380

SCHEMBL5813380

O=C(NO)c1ccc(/C=C(/CCOc2cccc3ccccc23)CN2CCc3ccccc3C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.50
PRMT5 O14744 4/20 0.49
HDAC1 Q13547 4/20 0.43
HDAC6 Q9UBN7 3/20 0.43
WDR77 Q9BQA1 3/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HDAC3 O15379 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
HTT P42858 2/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.39
S1PR5 Q9H228 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL5808572 1.00 P2RX3 (0.50) P2RX3PRMT5HDAC1HDAC6WDR77
SCHEMBL5799039 0.91 PRMT5 (0.47) P2RX3PRMT5WDR77MEN1KMT2A
SCHEMBL5807171 0.91 PRMT5 (0.47) P2RX3PRMT5WDR77MEN1KMT2A
SCHEMBL5797348 0.90 PRMT5 (0.49) P2RX3PRMT5WDR77MEN1KMT2A
SCHEMBL5813402 0.82 P2RX3 (0.49) P2RX3HDAC1HDAC6MEN1KMT2A
SCHEMBL5813399 0.82 P2RX3 (0.49) P2RX3HDAC1HDAC6MEN1KMT2A
SCHEMBL5808299 0.81 P2RX3 (0.46) P2RX3HDAC1HDAC6HDAC8HTT
SCHEMBL5808295 0.81 P2RX3 (0.46) P2RX3HDAC1HDAC6HDAC8HTT
SCHEMBL5808519 0.81 P2RX3 (0.48) P2RX3HDAC1HDAC6HDAC3HDAC8
SCHEMBL5808511 0.81 P2RX3 (0.48) P2RX3HDAC1HDAC6HDAC3HDAC8

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