SCHEMBL16627901

SCHEMBL16627901

COC(=O)c1cc2c(NC(=O)CC3(C)CC4CC(CC(C)(Br)C4)C3)cccc2n(Cc2ccc(OC)cc2)c1=O

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.78
MAPT P10636 2/20 0.40
P2RX3 P56373 1/20 0.40
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HDAC1 Q13547 1/20 0.38
S1PR2 O95136 2/20 0.38
P2RX4 Q99571 1/20 0.38
MAPK8 P45983 1/20 0.37

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
SCHEMBL16627903 0.95 P2RX7 (0.81) P2RX7MAPTP2RX3TP53RXFP1
SCHEMBL16627794 0.90 P2RX7 (0.77) P2RX7MAPTTP53RXFP1HDAC1
SCHEMBL16627793 0.84 P2RX7 (0.80) P2RX7MAPTTP53RXFP1HDAC1
SCHEMBL16627910 0.80 P2RX7 (0.58) P2RX7MAPTP2RX3TP53RXFP1
SCHEMBL16627864 0.78 P2RX7 (0.60) P2RX7MAPTP2RX3TP53RXFP1
SCHEMBL16627790 0.77 P2RX7 (0.70) P2RX7MAPT
SCHEMBL16627789 0.77 P2RX7 (0.83) P2RX7MAPT
SCHEMBL16627902 0.76 P2RX7 (1.00) P2RX7TP53HDAC1P2RX4
SCHEMBL16627791 0.76 P2RX7 (0.69) P2RX7MAPTTP53RXFP1HDAC1
SCHEMBL16627612 0.74 P2RX7 (1.00) P2RX7P2RX4

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