SCHEMBL16627836

SCHEMBL16627836

CCc1ccc(CCNC(=O)c2cc3ccccc3n(C(=O)Cc3ccc(C=O)cc3)c2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.42
CNR2 P34972 4/20 0.41
CNR1 P21554 3/20 0.41
EGLN1 Q9GZT9 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SPR P35270 1/20 0.37

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
SCHEMBL16627837 0.86 NR1H2 (0.41) NR1H2CNR2CNR1EGLN1L3MBTL1
SCHEMBL16627841 0.86 NR1H2 (0.41) NR1H2CNR2CNR1EGLN1L3MBTL1
SCHEMBL16627714 0.80 SMN1; SMN2 (0.43) NR1H2CNR2CNR1L3MBTL1NPC1
SCHEMBL16627883 0.79 SMN1; SMN2 (0.43) NR1H2CNR2CNR1L3MBTL1KDM4E
SCHEMBL16627881 0.79 SMN1; SMN2 (0.50) CNR2CNR1L3MBTL1NPC1KDM4E
SCHEMBL16627884 0.79 SMN1; SMN2 (0.43) NR1H2CNR2CNR1L3MBTL1KDM4E
SCHEMBL16627697 0.79 CNR2 (0.49) CNR2CNR1EGLN1KDM4EMAPT
SCHEMBL16627698 0.78 CNR2 (0.47) NR1H2CNR2CNR1
SCHEMBL16627882 0.76 KMT2A (0.43) KDM4EMAPTMEN1KMT2A
SCHEMBL16627772 0.74 RAB9A (0.47) CNR2CNR1NPC1KDM4ELMNA

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