SCHEMBL16627581

SCHEMBL16627581

COc1ccc(Cn2c(=O)c(C(=O)NCCCc3ccccc3)cc3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.54
CNR2 P34972 5/20 0.54
AKR1B10 O60218 1/20 0.52
AKR1B1 P15121 1/20 0.52
SLC6A5 Q9Y345 2/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
AHR P35869 1/20 0.48
EGLN1 Q9GZT9 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL16627834 0.89 KMT2A (0.53) CNR1CNR2KMT2AMEN1ALDH1A1
SCHEMBL16627830 0.82 CNR1 (0.47) CNR1CNR2KMT2AMEN1ALDH1A1
SCHEMBL16627770 0.82 KMT2A (0.57) AKR1B10AKR1B1SLC6A5KMT2AMEN1
SCHEMBL16627676 0.80 P2RX4 (0.52) CNR1CNR2KMT2AMEN1AHR
SCHEMBL27806397 0.79 P2RX4 (0.51) CNR1CNR2KMT2AMEN1LMNA
SCHEMBL16627707 0.77 P2RX7 (0.57) KMT2AMEN1ALDH1A1HDAC1HDAC8
SCHEMBL16627829 0.77 KMT2A (0.49) CNR1CNR2KMT2AMEN1ALDH1A1
SCHEMBL16627697 0.73 CNR2 (0.49) CNR1CNR2KMT2AMEN1AHR
SCHEMBL8548802 0.73 NPC1 (0.72) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL28489579 0.73 NPC1 (0.72) KMT2AMEN1ALDH1A1LMNA

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