SCHEMBL16627607

SCHEMBL16627607

COC(=O)c1cc2c(NC(=O)C34CC(C)CC(CC(C)C3)C4)cccc2n(Cc2cccc(OC)c2)c1=O

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.79
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK8 P45983 1/20 0.39
P2RX2 Q9UBL9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR2 P34972 1/20 0.39
FABP4 P15090 1/20 0.38
PLA2G2A P14555 1/20 0.38

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
SCHEMBL16627605 0.88 P2RX7 (0.77) P2RX7
SCHEMBL16627907 0.87 P2RX7 (0.79) P2RX7TP53MAPTRXFP1FABP4
SCHEMBL16627908 0.86 P2RX7 (0.91) P2RX7TP53MAPTRXFP1MEN1
SCHEMBL16627904 0.86 P2RX7 (0.77) P2RX7TP53MAPTRXFP1CNR2
SCHEMBL16627672 0.85 P2RX7 (0.76) P2RX7TP53MAPTRXFP1P2RX2
SCHEMBL16627720 0.84 P2RX7 (0.71) P2RX7TP53MAPTRXFP1CNR2
SCHEMBL16627612 0.81 P2RX7 (1.00) P2RX7ALDH1A1KMT2AP2RX2CNR2
SCHEMBL16627628 0.80 P2RX7 (0.67) P2RX7P2RX2CNR2
SCHEMBL16627793 0.78 P2RX7 (0.80) P2RX7TP53MAPTRXFP1MAPK8
SCHEMBL16627794 0.77 P2RX7 (0.77) P2RX7TP53MAPTRXFP1MAPK8

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