SCHEMBL16627672

SCHEMBL16627672

COc1ccc(Cn2c(=O)c(C(=O)SC)cc3c(NC(=O)C45CC(C)CC(C[C@@H](C)C4)C5)cccc32)cc1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.76
HDAC1 Q13547 2/20 0.39
P2RX4 Q99571 1/20 0.39
MAPT P10636 3/20 0.37
MCL1 Q07820 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL16627907 0.91 P2RX7 (0.79) P2RX7HDAC1P2RX4MAPTTP53
SCHEMBL16627904 0.90 P2RX7 (0.77) P2RX7HDAC1P2RX4MAPTHDAC11
SCHEMBL16627908 0.87 P2RX7 (0.91) P2RX7HDAC1P2RX4MAPTHDAC11
SCHEMBL16627720 0.87 P2RX7 (0.71) P2RX7HDAC1P2RX4MAPTHDAC11
SCHEMBL16627607 0.85 P2RX7 (0.79) P2RX7MAPTP2RX2TP53RXFP1
SCHEMBL16627605 0.84 P2RX7 (0.77) P2RX7
SCHEMBL16627628 0.84 P2RX7 (0.67) P2RX7HDAC1P2RX4HDAC11HDAC8
SCHEMBL16627721 0.79 P2RX7 (0.75) P2RX7HDAC1P2RX4MAPTTP53
SCHEMBL16627793 0.76 P2RX7 (0.80) P2RX7HDAC1P2RX4MAPTHDAC11
SCHEMBL16627612 0.76 P2RX7 (1.00) P2RX7P2RX4P2RX2

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