SCHEMBL18123776

SCHEMBL18123776

CC(=O)c1cc2c(N=O)c3ccccc3c(OC(=O)OC(C)(C)C)c2o1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
STAT3 P40763 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
ELANE P08246 1/20 0.32
F2 P00734 1/20 0.31

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
SCHEMBL18123781 0.88 LMNA (0.37) LMNARECQLALDH1A1MAPTSTAT3
SCHEMBL18123699 0.85 MAPT (0.37) LMNARECQLALDH1A1MAPTSTAT3
SCHEMBL18123783 0.81 MAPT (0.37) LMNARECQLALDH1A1MAPTSTAT3
SCHEMBL18123775 0.79 ALDH1A1 (0.43) LMNARECQLALDH1A1MAPTSTAT3
SCHEMBL18123782 0.77 CYP3A4 (0.39) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL18123704 0.77 CYP3A4 (0.39) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL18123828 0.76 LMNA (0.39) LMNARECQLALDH1A1MAPTSTAT3
SCHEMBL12494851 0.73 LMNA (0.39) LMNARECQLALDH1A1MAPTSTAT3
SCHEMBL12493926 0.73 MAPT (0.48) LMNARECQLALDH1A1MAPTSTAT3
SCHEMBL18867274 0.72 HPGD (0.43) LMNAALDH1A1MAPTKMT2AKDM4E

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-2016157052-A1 WATER-SOLUBLE PRODRUGS BOSTON BIOMEDICAL, INC. (US) 2016-10-06 WO disclosed