SCHEMBL3378607

SCHEMBL3378607

Cn1c(=O)ccc2ncc(F)c(CO)c21

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.31
DPP4 P27487 2/20 0.31
PIK3CA P42336 1/20 0.31
ATM Q13315 1/20 0.31
ATR Q13535 1/20 0.31
TRPA1 O75762 1/20 0.30
HSD17B13 Q7Z5P4 3/20 0.30
TYR P14679 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3379063 0.90
SCHEMBL13425000 0.87 USP2 (0.33) DPP4PIK3CATRPA1GAAMAPT
SCHEMBL21820265 0.86 TTR (0.32) KCNH2PIK3CA
SCHEMBL3375288 0.85 DPP4 (0.31) DPP4PIK3CATRPA1GAAMAPT
SCHEMBL30366404 0.83
SCHEMBL21820230 0.83
SCHEMBL21820317 0.82 NCOA1 (0.33)
SCHEMBL30236867 0.82 NCOA1 (0.33)
SCHEMBL21820321 0.81
SCHEMBL30236725 0.81

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