SCHEMBL16627669

SCHEMBL16627669

CCc1ccc2c(c1)CC(Cn1c(=O)c(C(=O)Nc3ccccc3)cc3c(NC(=O)CCc4ccccc4)cccc31)C2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
TP53 P04637 2/20 0.42
P2RX7 Q99572 4/20 0.40
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
NPY5R Q15761 1/20 0.39
RXFP1 Q9HBX9 2/20 0.38
AHR P35869 2/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RORC P51449 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
SCHEMBL16627816 0.79 P2RX7 (0.48) MAPTTP53P2RX7RXFP1AHR
SCHEMBL16627878 0.79 P2RX7 (0.49) MAPTTP53P2RX7KDM4E
SCHEMBL16627692 0.74 CNR1 (0.39) P2RX7CNR1CNR2NPY5RRXFP1
SCHEMBL16627759 0.70 NPY5R (0.47) MAPTTP53P2RX7NPY5RKDM4E
SCHEMBL16627576 0.67 P2RX7 (0.43) MAPTP2RX7CNR1CNR2LMNA
SCHEMBL16627688 0.66 MAPT (0.50) MAPTNPY5RKDM4E
SCHEMBL16627823 0.66 NPY5R (0.47) MAPTTP53P2RX7NPY5RKDM4E
SCHEMBL16627665 0.66 SMN1; SMN2 (0.51) P2RX7CNR1CNR2NPY5RAHR
SCHEMBL16627681 0.65 NPY5R (0.45) MAPTP2RX7NPY5RRXFP1KDM4E
SCHEMBL23652963 0.64 MAPT (0.79) MAPTLMNA

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