SCHEMBL5799028

SCHEMBL5799028

COC(=O)c1ccc(C=C(CNc2nc3c(C)cccc3s2)CC(O)c2cccc3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
GLO1 Q04760 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 7/20 0.37
MEN1 O00255 6/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 3/20 0.36
MAPK1 P28482 3/20 0.36
ALOX15 P16050 2/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ACP1 P24666 1/20 0.36
KDM4E B2RXH2 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 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
SCHEMBL5818112 0.90 BCHE (0.38) MAPTBCHEACHEGAAKMT2A
SCHEMBL5796348 0.88 MEN1 (0.41) MAPTGLO1GAAKMT2AMEN1
SCHEMBL5799063 0.83 RAB9A (0.48) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL5810724 0.83 MAPT (0.41) MAPTGLO1BCHEACHEGAA
SCHEMBL5810719 0.83 MAPT (0.41) MAPTGLO1BCHEACHEGAA
SCHEMBL5799059 0.82 NPC1 (0.39) MAPTGLO1GAAKMT2AMEN1
SCHEMBL5796715 0.81 MAPT (0.46) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL5823657 0.81 ALDH1A1 (0.46) MAPTGLO1KMT2AMEN1ALDH1A1
SCHEMBL5798801 0.78 HDAC1 (0.38) KMT2AMEN1ACP1
SCHEMBL5822231 0.77 KMT2A (0.48) MAPTGAAKMT2AMEN1ALDH1A1

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