SCHEMBL16627628

SCHEMBL16627628

COc1ccc(Cn2c(=O)ccc3c(NC(=O)C45CC(C)CC(CC(C)C4)C5)cccc32)cc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.67
P2RX4 Q99571 1/20 0.43
HDAC1 Q13547 2/20 0.42
P2RX3 P56373 1/20 0.39
P2RX2 Q9UBL9 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CNR2 P34972 2/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL16627720 0.86 P2RX7 (0.71) P2RX7P2RX4HDAC1CNR2HDAC11
SCHEMBL16627907 0.86 P2RX7 (0.79) P2RX7P2RX4HDAC1SMN1; SMN2
SCHEMBL16627864 0.85 P2RX7 (0.60) P2RX7P2RX4HDAC1P2RX3
SCHEMBL16627904 0.84 P2RX7 (0.77) P2RX7P2RX4HDAC1CNR2HDAC11
SCHEMBL16627672 0.84 P2RX7 (0.76) P2RX7P2RX4HDAC1P2RX2HDAC11
SCHEMBL16627629 0.82 P2RX7 (0.60) P2RX7P2RX4HDAC1P2RX3HDAC11
SCHEMBL16627865 0.82 P2RX7 (0.58) P2RX7P2RX4P2RX3
SCHEMBL16627911 0.82 P2RX7 (0.51) P2RX7P2RX4HDAC1P2RX3HDAC11
SCHEMBL16627908 0.82 P2RX7 (0.91) P2RX7P2RX4HDAC1CNR2HDAC11
SCHEMBL16627607 0.80 P2RX7 (0.79) P2RX7P2RX2CNR2

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