SCHEMBL16627735

SCHEMBL16627735

O=c1[nH]c2ccccc2cc1NCCc1ccc2c(c1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
LMNA P02545 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.45
KDM4E B2RXH2 3/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
IL4I1 Q96RQ9 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TP53 P04637 1/20 0.43
FAAH O00519 1/20 0.42
CNR1 P21554 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL16627734 0.88 MEN1 (0.58) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL16627728 0.81 KDM4E (0.56) LMNANPC1RAB9AKDM4ETSHR
SCHEMBL16627807 0.78 MEN1 (0.52) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL16627809 0.72 BRD4 (0.51) KDM4ETSHR
SCHEMBL16627856 0.69 BRD4 (0.54) LMNAKDM4ETSHRMAPK1
SCHEMBL7591960 0.69 MMP2 (0.50) LMNAKDM4ETSHRCNR1
SCHEMBL16627733 0.69 MAPT (0.45) MEN1KMT2AKDM4E
SCHEMBL4069193 0.68 KDM4E (0.75) MEN1KMT2ALMNAPOLBKDM4E
SCHEMBL30496700 0.68 POLB (0.66) MEN1KMT2ALMNAPOLBKDM4E
SCHEMBL16627872 0.68 CNR1 (0.52) MEN1KMT2ALMNANPC1RAB9A

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