SCHEMBL16627834

SCHEMBL16627834

COc1ccc(Cn2c(=O)c(C(=O)NCCc3ccc(Cl)cc3)cc3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
KDM4E B2RXH2 2/20 0.52
TP53 P04637 3/20 0.51
POLB P06746 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
CNR1 P21554 6/20 0.51
CNR2 P34972 5/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.51
FPR2 P25090 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL16627581 0.89 CNR1 (0.54) KMT2AKDM4ELMNACNR1CNR2
SCHEMBL16627830 0.86 CNR1 (0.47) KMT2AKDM4ETP53POLBSMN1; SMN2
SCHEMBL16627770 0.85 KMT2A (0.57) KMT2AKDM4ETP53POLBSMN1; SMN2
SCHEMBL16627676 0.80 P2RX4 (0.52) KMT2AKDM4EPOLBSMN1; SMN2GAA
SCHEMBL16627829 0.80 KMT2A (0.49) KMT2AKDM4ETP53POLBSMN1; SMN2
SCHEMBL27806397 0.79 P2RX4 (0.51) KMT2ATP53POLBSMN1; SMN2LMNA
SCHEMBL24273389 0.77 CHRM1 (0.58) KMT2ATP53MAPTLMNA
SCHEMBL16627707 0.77 P2RX7 (0.57) KMT2AKDM4ETP53POLBSMN1; SMN2
SCHEMBL16627697 0.77 CNR2 (0.49) KMT2AKDM4ETP53POLBMAPT
SCHEMBL25474382 0.76 KMT2A (0.62) KMT2AKDM4EPOLBSMN1; SMN2MAPT

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