SCHEMBL5799017

SCHEMBL5799017

COC(=O)c1ccc(/C=C(\CBr)COc2nc3ccccc3s2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 8/20 0.57
MAPT P10636 5/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
ALDH1A1 P00352 3/20 0.54
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
GAA P10253 1/20 0.46
EPHX2 P34913 1/20 0.45
TSHR P16473 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40

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 1.00 GLO1 (0.57) GLO1MAPTMEN1KMT2AALDH1A1
SCHEMBL5799757 0.92 GLO1 (0.59) GLO1MAPTMEN1KMT2AALDH1A1
SCHEMBL5798881 0.84 GLO1 (0.60) GLO1MAPTMEN1KMT2AALDH1A1
SCHEMBL5819439 0.82 GLO1 (0.49) GLO1MAPTMEN1KMT2AALDH1A1
SCHEMBL5798959 0.82 GLO1 (0.49) GLO1MAPTMEN1KMT2AALDH1A1
SCHEMBL5807900 0.81 GLO1 (0.48) GLO1MAPTMEN1KMT2AALDH1A1
SCHEMBL5807897 0.81 GLO1 (0.48) GLO1MAPTMEN1KMT2AALDH1A1
SCHEMBL5798805 0.78 MAPT (0.56) GLO1MAPTMEN1KMT2AALDH1A1
SCHEMBL28623538 0.75 CYP1A2 (0.73) GLO1MAPTMEN1KMT2AALDH1A1
SCHEMBL1306406 0.74 ALDH1A1 (0.47) MAPTMEN1KMT2AALDH1A1NPC1

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