SCHEMBL16627722

SCHEMBL16627722

COc1ccc(Cn2c(=O)ccc3c(C(F)C(=O)CC45C[C@@H](C)CC(C)(CC(C)(C)C4)C5)cccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.38
P2RX4 Q99571 1/20 0.36
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 2/20 0.32
PARG Q86W56 1/20 0.32
PTPN1 P18031 1/20 0.32
PLA2G10 O15496 1/20 0.32
PLA2G2A P14555 1/20 0.32
SLC5A1 P13866 2/20 0.32
SLC5A2 P31639 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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 0.75 P2RX7 (0.48) P2RX7P2RX4KMT2AMEN1TP53
SCHEMBL16627673 0.71 P2RX7 (0.48) P2RX7P2RX4TP53HDAC1HDAC11
SCHEMBL16627627 0.69 P2RX7 (0.51) P2RX7P2RX4ALDH1A1GAAKMT2A
SCHEMBL16627667 0.69 P2RX7 (0.47) P2RX7P2RX4KMT2AMEN1TP53
SCHEMBL16627867 0.69 P2RX7 (0.52) P2RX7P2RX4ALDH1A1GAATP53
SCHEMBL16627865 0.67 P2RX7 (0.58) P2RX7P2RX4KMT2AMEN1
SCHEMBL16627864 0.66 P2RX7 (0.60) P2RX7P2RX4TP53HDAC1
SCHEMBL16627629 0.65 P2RX7 (0.60) P2RX7P2RX4ALDH1A1KMT2AMEN1
SCHEMBL16627628 0.65 P2RX7 (0.67) P2RX7P2RX4HDAC1HDAC11HDAC8
SCHEMBL16627911 0.65 P2RX7 (0.51) P2RX7P2RX4HDAC1HDAC11HDAC8

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