SCHEMBL16627744

SCHEMBL16627744

CCc1ccc(CCn2c(=O)c(C(=O)NCCc3ccccc3)cc3c([N+](=O)[O-])cccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
CNR2 P34972 2/20 0.47
CNR1 P21554 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
PLCG2 P16885 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL16627736 0.94 NPC1 (0.50) MEN1KMT2ANPC1RAB9ACNR2
SCHEMBL16627657 0.91 NPC1 (0.48) MEN1KMT2ANPC1RAB9ACNR2
SCHEMBL16627679 0.91 NPC1 (0.58) MEN1KMT2ANPC1RAB9ACNR2
SCHEMBL16627655 0.86 NPC1 (0.52) MEN1KMT2ANPC1RAB9ACNR2
SCHEMBL16627636 0.85 SMN1; SMN2 (0.51) MEN1KMT2ANPC1RAB9ACNR2
SCHEMBL16627738 0.85 NPC1 (0.58) MEN1KMT2ANPC1RAB9ACNR2
SCHEMBL16627643 0.85 NPC1 (0.51) MEN1KMT2ANPC1RAB9ACNR2
SCHEMBL16627653 0.85 NPC1 (0.50) MEN1KMT2ANPC1RAB9ACNR2
SCHEMBL16627577 0.85 CNR1 (0.56) KMT2ANPC1RAB9ACNR2CNR1
SCHEMBL16627684 0.84 PLCG2 (0.48) MEN1KMT2ANPC1RAB9ACNR2

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