SCHEMBL5797405

SCHEMBL5797405

COc1ccc(NC/C(=C/c2ccc(C(=O)NO)cc2)COc2nc3ccccc3s2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
HTT P42858 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
PKM P14618 1/20 0.42
MAPT P10636 7/20 0.42
RAB9A P51151 2/20 0.42
PPARG P37231 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
GPX4 P36969 2/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL5797406 1.00 KDM4E (0.45) KDM4EHTTL3MBTL1ALDH1A1MEN1
SCHEMBL5807897 0.92 GLO1 (0.48) KDM4EHTTL3MBTL1ALDH1A1MEN1
SCHEMBL5807900 0.92 GLO1 (0.48) KDM4EHTTL3MBTL1ALDH1A1MEN1
SCHEMBL5814003 0.92 KDM4E (0.46) KDM4EHTTL3MBTL1ALDH1A1MEN1
SCHEMBL5813996 0.92 KDM4E (0.46) KDM4EHTTL3MBTL1ALDH1A1MEN1
SCHEMBL5796187 0.84 HDAC6 (0.55) KDM4EALDH1A1MEN1KMT2ARAB9A
SCHEMBL5796188 0.84 HDAC6 (0.55) KDM4EALDH1A1MEN1KMT2ARAB9A
SCHEMBL5813024 0.81 P2RX3 (0.55) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL5799088 0.81 P2RX3 (0.55) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL5795567 0.78 P2RX3 (0.45) ALDH1A1MEN1KMT2AHDAC1HDAC6

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