SCHEMBL16627734

SCHEMBL16627734

O=c1[nH]c2ccccc2cc1NCc1ccc2c(c1)OCO2

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
LMNA P02545 2/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
TSHR P16473 1/20 0.52
KDM4E B2RXH2 3/20 0.51
KDR P35968 1/20 0.51
PDE9A O76083 4/20 0.48
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
CLPP Q16740 1/20 0.46
HPGD P15428 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
SCHEMBL16627735 0.88 MEN1 (0.47) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL16627733 0.81 MAPT (0.45) MEN1KMT2AKDM4EKDRALDH1A1
SCHEMBL16627872 0.77 CNR1 (0.52) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL16627870 0.77 DRD2 (0.45) MEN1KMT2ANPC1KDM4EKDR
SCHEMBL16627871 0.77 KDM4E (0.47) NPC1RAB9AKDM4EKDRPDE9A
SCHEMBL16627873 0.77 IDH1 (0.46) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL16627728 0.73 KDM4E (0.56) LMNANPC1RAB9ATSHRKDM4E
SCHEMBL16627856 0.70 BRD4 (0.54) LMNATSHRKDM4EKDRALDH1A1
SCHEMBL9672474 0.70 MAPT (0.63) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL4079906 0.70 FYN (0.61) MEN1KMT2ALMNATSHRKDM4E

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