SCHEMBL16627865

SCHEMBL16627865

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

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 15/20 0.58
P2RX3 P56373 1/20 0.44
P2RX4 Q99571 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL16627673 0.88 P2RX7 (0.48) P2RX7P2RX3P2RX4
SCHEMBL16627717 0.88 P2RX7 (0.48) P2RX7P2RX3P2RX4MEN1KMT2A
SCHEMBL16627667 0.87 P2RX7 (0.47) P2RX7P2RX3P2RX4MEN1KMT2A
SCHEMBL16627911 0.85 P2RX7 (0.51) P2RX7P2RX3P2RX4
SCHEMBL16627628 0.82 P2RX7 (0.67) P2RX7P2RX3P2RX4
SCHEMBL16627864 0.81 P2RX7 (0.60) P2RX7P2RX3P2RX4
SCHEMBL16627913 0.79 P2RX7 (0.52) P2RX7P2RX4MEN1KMT2A
SCHEMBL16627863 0.79 P2RX7 (0.49) P2RX7P2RX4
SCHEMBL16627866 0.78 P2RX7 (0.49) P2RX7P2RX4MEN1KMT2A
SCHEMBL16627910 0.75 P2RX7 (0.58) P2RX7P2RX3P2RX4

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