SCHEMBL16627775

SCHEMBL16627775

O=Cc1ccc(Cn2c(=O)c(C(=O)NCCc3ccc([N+](=O)[O-])cc3)cc3ccccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.49
CNR2 P34972 5/20 0.49
MAPT P10636 3/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TAAR1 Q96RJ0 1/20 0.46
GSK3B P49841 1/20 0.43
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
P2RX4 Q99571 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 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
SCHEMBL16627772 0.94 RAB9A (0.47) CNR1CNR2MAPTNPC1RAB9A
SCHEMBL16627769 0.80 CNR1 (0.47) CNR1CNR2SMN1; SMN2MEN1KMT2A
SCHEMBL16627636 0.80 SMN1; SMN2 (0.51) CNR1CNR2MAPTNPC1RAB9A
SCHEMBL16627771 0.76 SMN1; SMN2 (0.45) CNR1CNR2MAPTSMN1; SMN2MEN1
SCHEMBL16627655 0.75 NPC1 (0.52) CNR1CNR2MAPTNPC1RAB9A
SCHEMBL16627834 0.75 KMT2A (0.53) CNR1CNR2MAPTSMN1; SMN2LMNA
SCHEMBL16627836 0.73 NR1H2 (0.42) CNR1CNR2MAPTNPC1LMNA
SCHEMBL16627684 0.73 PLCG2 (0.48) CNR1CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL16627643 0.73 NPC1 (0.51) CNR1CNR2MAPTNPC1RAB9A
SCHEMBL16627738 0.73 NPC1 (0.58) CNR1CNR2MAPTNPC1RAB9A

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