SCHEMBL16627682

SCHEMBL16627682

CC(=O)c1cc2ccccc2n(Cc2ccc(OC(F)(F)F)cc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.48
CNR2 P34972 4/20 0.48
FEN1 P39748 1/20 0.46
NOD2 Q9HC29 1/20 0.45
NOD1 Q9Y239 1/20 0.45
ALOX5AP P20292 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CCR2 P41597 2/20 0.41
TYMS P04818 1/20 0.41
CHRM5 P08912 1/20 0.41
KMT2A Q03164 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
PPARG P37231 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SERPINE1 P05121 2/20 0.41

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
SCHEMBL16627676 0.86 P2RX4 (0.52) CNR1CNR2FEN1CCR2KMT2A
SCHEMBL3968100 0.79 CCR2 (0.69) NOD2NOD1CCR2KMT2APPARG
SCHEMBL16627579 0.77 CCR2 (0.51) CNR1CNR2FEN1NOD2NOD1
SCHEMBL27806397 0.76 P2RX4 (0.51) CNR1CNR2CCR2KMT2A
SCHEMBL9977495 0.74 MEN1 (0.47) FEN1L3MBTL1CHRM5KMT2A
SCHEMBL9589007 0.73 NOD2 (0.61) CNR1CNR2NOD2NOD1MAPT
SCHEMBL30884510 0.73 CCR2 (0.66) CNR1CNR2CCR2PPARG
SCHEMBL11536101 0.73 CCR2 (0.66) CNR1CNR2CCR2PPARG
SCHEMBL6688670 0.71 AHR (0.45) L3MBTL1
SCHEMBL28095471 0.70 KDM4E (0.53) MAPTKMT2APPARG

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-2015050379-A1 NOVEL QUINOLINONE DERIVATIVE AND USE THEREOF 광주과학기술원 2015-04-09 WO disclosed