SCHEMBL3352619

SCHEMBL3352619

CC(C)(C)OC(=O)CNc1nccc(OCc2ccccc2)c1N

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPIA P62937 10/20 0.41
PLAU P00749 2/20 0.39
LTA4H P09960 1/20 0.39
MAPK14 Q16539 1/20 0.39
BRD4 O60885 1/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL13424801 0.88 NPC1 (0.43) MAPT
SCHEMBL3352616 0.85 PPIA (0.47) PPIALTA4HMAPK14BRD4
SCHEMBL3345757 0.83 PPIA (0.44) PPIAMAPT
SCHEMBL13424802 0.75 KDM4E (0.40) MAPT
SCHEMBL8520827 0.75 PPIA (0.43) PPIALTA4HBRD4
SCHEMBL15156727 0.74 KDM4E (0.42) MAPT
SCHEMBL646567 0.72 BRD4 (0.42) BRD4TDP1
SCHEMBL28302706 0.70 PDK1 (0.57) LTA4HMAPT
SCHEMBL3916435 0.70 LTA4H (0.39) LTA4HBRD4MAPTTDP1
SCHEMBL21439550 0.69 PPIA (0.47) PPIALTA4HMAPK14BRD4MAPT

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-2010046388-A1 SUBSTITUTED (AZA) -1-METHYL-1H-QUINOLIN-2-ONES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-29 WO disclosed