SCHEMBL22084259

SCHEMBL22084259

CCc1nc2cc(C)c(Oc3nc4ccccc4o3)cc2c(OC(C)=O)c1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.43
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 2/20 0.39
FPR1 P21462 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
PDE10A Q9Y233 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL22084944 0.84 NPSR1 (0.37) NPSR1MAPTGAAMEN1KMT2A
SCHEMBL28449083 0.81 MAPT (0.40) NPSR1MAPTGAAMEN1KMT2A
SCHEMBL28443373 0.77 NPSR1 (0.34) NPSR1MAPTMEN1KMT2AHTT
SCHEMBL22041587 0.76 LMNA (0.43) NPSR1MAPTGAAMEN1KMT2A
SCHEMBL29659631 0.76 LMNA (0.43) NPSR1MAPTGAAMEN1KMT2A
SCHEMBL28443895 0.75 TP53 (0.41) MAPTGAAMEN1KMT2AKDM4E
SCHEMBL28701449 0.75 SLC6A2 (0.35) NPSR1MAPT
SCHEMBL22084262 0.74 KDM4E (0.37) NPSR1MAPTGAAMEN1KMT2A
SCHEMBL22084951 0.73 KDM4E (0.40) NPSR1MAPTGAAMEN1KMT2A
SCHEMBL28443773 0.73 HTT (0.34) NPSR1MAPTGAAMEN1KMT2A

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-2020113554-A1 QUINOLINE DERIVATIVE AND PREPARATION METHOD AND APPLICATION THEREOF 东莞市东阳光农药研发有限公司 2020-06-11 WO disclosed