SCHEMBL16627830

SCHEMBL16627830

COc1ccc(CCNC(=O)c2cc3ccccc3n(Cc3ccc4c(c3)CCC4)c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.47
CNR2 P34972 6/20 0.47
KDM4E B2RXH2 2/20 0.47
KMT2A Q03164 5/20 0.45
MEN1 O00255 3/20 0.45
POLB P06746 3/20 0.45
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
AHR P35869 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL16627829 0.93 KMT2A (0.49) CNR1CNR2KDM4EKMT2AMEN1
SCHEMBL16627834 0.86 KMT2A (0.53) CNR1CNR2KDM4EKMT2AMEN1
SCHEMBL16627581 0.82 CNR1 (0.54) CNR1CNR2KDM4EKMT2AMEN1
SCHEMBL16627770 0.81 KMT2A (0.57) KDM4EKMT2AMEN1POLBALDH1A1
SCHEMBL16627676 0.74 P2RX4 (0.52) CNR1CNR2KDM4EKMT2AMEN1
SCHEMBL27806397 0.73 P2RX4 (0.51) CNR1CNR2KMT2AMEN1POLB
SCHEMBL16627697 0.73 CNR2 (0.49) CNR1CNR2KDM4EKMT2AMEN1
SCHEMBL25474382 0.71 KMT2A (0.62) KDM4EKMT2AMEN1POLBALDH1A1
SCHEMBL2736981 0.71 CNR2 (0.81) CNR1CNR2KMT2AMEN1POLB
SCHEMBL5438302 0.71 KMT2A (0.55) KDM4EKMT2AMEN1POLBTP53

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