SCHEMBL16627653

SCHEMBL16627653

Nc1ccc(Cn2c(=O)c(C(=O)NCCc3ccccc3)cc3c([N+](=O)[O-])cccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
CCR2 P41597 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
PLCG2 P16885 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
F10 P00742 1/20 0.42

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
SCHEMBL16627657 0.94 NPC1 (0.48) NPC1RAB9AALDH1A1LMNACCR2
SCHEMBL16627655 0.93 NPC1 (0.52) NPC1RAB9AALDH1A1LMNACCR2
SCHEMBL16627738 0.92 NPC1 (0.58) NPC1RAB9AALDH1A1LMNACCR2
SCHEMBL16627636 0.92 SMN1; SMN2 (0.51) NPC1RAB9AALDH1A1LMNACCR2
SCHEMBL16627643 0.92 NPC1 (0.51) NPC1RAB9AALDH1A1LMNACCR2
SCHEMBL16627577 0.91 CNR1 (0.56) NPC1RAB9AALDH1A1LMNACCR2
SCHEMBL16627736 0.91 NPC1 (0.50) NPC1RAB9AALDH1A1LMNACCR2
SCHEMBL16627637 0.90 NPC1 (0.48) NPC1RAB9AALDH1A1LMNACCR2
SCHEMBL16627654 0.89 NPC1 (0.48) NPC1RAB9AALDH1A1LMNACCR2
SCHEMBL16627684 0.89 PLCG2 (0.48) NPC1RAB9AALDH1A1LMNACCR2

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