SCHEMBL5799757

SCHEMBL5799757

COC(=O)c1ccc(C=C(CO)COc2nc3ccccc3s2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 7/20 0.59
MAPT P10636 6/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
ALDH1A1 P00352 4/20 0.56
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
GAA P10253 1/20 0.47
EPHX2 P34913 1/20 0.47
TSHR P16473 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
PDE10A Q9Y233 1/20 0.42
KDM4E B2RXH2 2/20 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
SCHEMBL5799023 0.92 GLO1 (0.57) GLO1MAPTMEN1KMT2AALDH1A1
SCHEMBL5799017 0.92 GLO1 (0.57) GLO1MAPTMEN1KMT2AALDH1A1
SCHEMBL5798881 0.86 GLO1 (0.60) GLO1MAPTMEN1KMT2AALDH1A1
SCHEMBL5819439 0.84 GLO1 (0.49) GLO1MAPTMEN1KMT2AALDH1A1
SCHEMBL5798959 0.84 GLO1 (0.49) GLO1MAPTMEN1KMT2AALDH1A1
SCHEMBL5807900 0.83 GLO1 (0.48) GLO1MAPTMEN1KMT2AALDH1A1
SCHEMBL5807897 0.83 GLO1 (0.48) GLO1MAPTMEN1KMT2AALDH1A1
SCHEMBL5796789 0.77 MAPT (0.58) GLO1MAPTMEN1KMT2AALDH1A1
SCHEMBL28623538 0.77 CYP1A2 (0.73) GLO1MAPTMEN1KMT2AALDH1A1
SCHEMBL5814003 0.75 KDM4E (0.46) GLO1MAPTMEN1KMT2AALDH1A1

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