SCHEMBL3869104

SCHEMBL3869104

CCOC(=O)c1c(CCc2ccccc2)[nH]c2cc(F)c(F)c(F)c2c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.58
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MITF O75030 1/20 0.42
TP53 P04637 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALOX15 P16050 1/20 0.40
KMT2A Q03164 2/20 0.40
PTGES O14684 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL4080919 0.92 ALOX5 (0.54) ALOX5SMN1; SMN2MAPTTDP1L3MBTL1
SCHEMBL3878774 0.89 ALOX5 (0.53) ALOX5SMN1; SMN2MAPTTDP1L3MBTL1
SCHEMBL5716973 0.81 ALOX5 (0.58) ALOX5NPC1ALOX15GABRA1GABRB1
SCHEMBL3872372 0.77 ALOX5 (0.38) ALOX5L3MBTL1NPC1RAB9AKMT2A
SCHEMBL3870848 0.69 NPSR1 (0.41) SMN1; SMN2NPC1RAB9AHSD17B10MITF
SCHEMBL1344580 0.69 TSHR (0.49) SMN1; SMN2MAPTTDP1KMT2AKDM4E
SCHEMBL25069322 0.67 GABRA1 (0.54) MAPTL3MBTL1HSD17B10TP53KMT2A
SCHEMBL15175923 0.67 NPC1 (0.51) ALOX5SMN1; SMN2MAPTTDP1L3MBTL1
SCHEMBL8529906 0.65 ALOX5 (0.52) ALOX5SMN1; SMN2MAPTTDP1L3MBTL1
SCHEMBL8885867 0.65 ALOX5 (0.49) ALOX5SMN1; SMN2MAPTNPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013182-A2 AMINOQUINOLONES AS GSK-3 INHIBITORS Activx Biosciences, Inc. (US) 2009-01-14 EP disclosed
WO-2007106537-A2 AMINOQUINOLONES AS GSK-3 INHIBITORS ACTIVX BIOSCIENCES, INC. (US) 2007-09-20 WO disclosed