SCHEMBL5796348

SCHEMBL5796348

COC(=O)c1ccc(C=C(CNc2nc3cc(C)c(C)cc3s2)CC(O)c2cccc3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
GLO1 Q04760 1/20 0.39
HTT P42858 3/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
SCD O00767 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
ACP1 P24666 1/20 0.35
KDM4E B2RXH2 2/20 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
SCHEMBL5798801 0.91 HDAC1 (0.38) MEN1KMT2ACSNK2A2CSNK2BCSNK2A1
SCHEMBL5799063 0.89 RAB9A (0.48) MEN1KMT2AHTTMAPTALDH1A1
SCHEMBL5799028 0.88 MAPT (0.41) MEN1KMT2AGLO1HTTMAPT
SCHEMBL5796715 0.86 MAPT (0.46) MEN1KMT2AHTTMAPTALDH1A1
SCHEMBL5822231 0.83 KMT2A (0.48) MEN1KMT2AHTTMAPTALDH1A1
SCHEMBL5799236 0.82 SCD (0.47) MEN1KMT2AHTTMAPTALDH1A1
SCHEMBL5799059 0.81 NPC1 (0.39) MEN1KMT2AGLO1MAPTALDH1A1
SCHEMBL5823657 0.80 ALDH1A1 (0.46) MEN1KMT2AGLO1HTTMAPT
SCHEMBL5818112 0.78 BCHE (0.38) MEN1KMT2AHTTMAPTALDH1A1
SCHEMBL5797235 0.78 MAPT (0.48) MEN1KMT2AHTTMAPTALDH1A1

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