SCHEMBL16627667

SCHEMBL16627667

COc1ccc(Cn2c(=O)ccc3c(NNC(=O)CC45CC(C)CC(Br)(CC(C)C4)C5)cccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.47
KMT2A Q03164 2/20 0.39
P2RX4 Q99571 1/20 0.37
HDAC1 Q13547 2/20 0.36
MCL1 Q07820 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
P2RX3 P56373 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL16627717 0.91 P2RX7 (0.48) P2RX7KMT2AP2RX4HDAC1MCL1
SCHEMBL16627673 0.91 P2RX7 (0.48) P2RX7P2RX4HDAC1MCL1HDAC11
SCHEMBL16627865 0.87 P2RX7 (0.58) P2RX7KMT2AP2RX4P2RX3MEN1
SCHEMBL16627911 0.78 P2RX7 (0.51) P2RX7P2RX4HDAC1HDAC11HDAC8
SCHEMBL16627866 0.77 P2RX7 (0.49) P2RX7KMT2AP2RX4HDAC1HDAC11
SCHEMBL16627913 0.75 P2RX7 (0.52) P2RX7KMT2AP2RX4HDAC1HDAC11
SCHEMBL16627863 0.74 P2RX7 (0.49) P2RX7P2RX4HDAC1HDAC11HDAC8
SCHEMBL16627864 0.74 P2RX7 (0.60) P2RX7P2RX4HDAC1MAPTTP53
SCHEMBL16627628 0.73 P2RX7 (0.67) P2RX7P2RX4HDAC1HDAC11HDAC8
SCHEMBL16627910 0.70 P2RX7 (0.58) P2RX7P2RX4HDAC1MAPTTP53

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