SCHEMBL16627676

SCHEMBL16627676

COc1ccc(Cn2c(=O)c(C(C)=O)cc3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.52
AHR P35869 1/20 0.52
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
GABRA5 P31644 1/20 0.50
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CNR1 P21554 4/20 0.48
CNR2 P34972 4/20 0.48
CCR2 P41597 1/20 0.47
TBXA2R P21731 1/20 0.47
TSPO P30536 1/20 0.47
CHRM1 P11229 1/20 0.46
P2RX7 Q99572 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46

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
SCHEMBL27806397 0.89 P2RX4 (0.51) P2RX4AHRKMT2AMEN1GABRA5
SCHEMBL16627682 0.86 CNR1 (0.48) KMT2ACNR1CNR2CCR2FEN1
SCHEMBL27942329 0.81 P2RX4 (0.56) P2RX4KMT2AMEN1GABRA5POLB
SCHEMBL16627834 0.80 KMT2A (0.53) KMT2AMEN1POLBGAASMN1; SMN2
SCHEMBL16627581 0.80 CNR1 (0.54) AHRKMT2AMEN1CNR1CNR2
SCHEMBL15329829 0.79 P2RX4 (0.53) P2RX4KMT2AMEN1GABRA5POLB
SCHEMBL3964251 0.79 CCR2 (0.74) P2RX4KMT2APOLBCCR2
SCHEMBL29433700 0.79 CCR2 (0.74) P2RX4KMT2APOLBCCR2
SCHEMBL9356151 0.78 P2RX4 (0.52) P2RX4KMT2AMEN1GABRA5POLB
SCHEMBL16627579 0.78 CCR2 (0.51) GAASMN1; SMN2CNR1CNR2CCR2

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