SCHEMBL5808433

SCHEMBL5808433

O=C(O)c1ccc(C=C(CCOc2cccc3ccccc23)CNc2nc3ccc([N+](=O)[O-])cc3s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.48
LMNA P02545 5/20 0.48
KMT2A Q03164 8/20 0.47
MEN1 O00255 7/20 0.47
ALDH1A1 P00352 4/20 0.44
HTT P42858 3/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CLK1 P49759 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
S1PR2 O95136 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
RAB9A P51151 1/20 0.41
RIPK1 Q13546 1/20 0.40
DYRK1A Q13627 1/20 0.40
POLB P06746 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
SCHEMBL5808427 1.00 MAPT (0.48) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL5799747 0.93 MAPT (0.44) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL5799742 0.93 MAPT (0.44) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL5799066 0.87 KMT2A (0.47) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL5823606 0.86 PIN1 (0.40) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL5797235 0.84 MAPT (0.48) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL5808425 0.81 MAPT (0.42) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL5799332 0.81 RAB9A (0.47) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL5799330 0.81 RAB9A (0.47) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL5799794 0.80 MCL1 (0.41) MAPTLMNAKMT2AMEN1ALDH1A1

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