SCHEMBL16627728

SCHEMBL16627728

O=C(NCCc1ccc2c(c1)OCO2)c1cc2ccccc2[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
NPC1 O15118 4/20 0.53
HTT P42858 2/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
FAAH O00519 4/20 0.52
RAB9A P51151 3/20 0.52
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 1/20 0.52
CNR1 P21554 2/20 0.52
CNR2 P34972 1/20 0.49
NAMPT P43490 1/20 0.48
MAPK1 P28482 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
SCHEMBL16627739 0.83 SMYD3 (0.50) KDM4ENPC1HTTALDH1A1L3MBTL1
SCHEMBL34468791 0.82 KDM4E (0.62) KDM4ENPC1ALDH1A1L3MBTL1RAB9A
SCHEMBL16627891 0.81 KDM4E (0.52) KDM4ENPC1ALDH1A1L3MBTL1RAB9A
SCHEMBL16627735 0.81 MEN1 (0.47) KDM4ENPC1LMNAFAAHRAB9A
SCHEMBL34468766 0.81 SMYD3 (0.49) KDM4ENPC1HTTALDH1A1LMNA
SCHEMBL16627868 0.81 KDM4E (0.48) KDM4ENPC1HTTALDH1A1L3MBTL1
SCHEMBL16627831 0.80 KDM4E (0.51) KDM4ENPC1ALDH1A1L3MBTL1RAB9A
SCHEMBL16627593 0.80 KDM4E (0.51) KDM4ENPC1ALDH1A1L3MBTL1RAB9A
SCHEMBL16627713 0.80 CNR2 (0.59) KDM4ENPC1ALDH1A1L3MBTL1RAB9A
SCHEMBL34468807 0.78 PARP1 (0.50) KDM4ENPC1ALDH1A1LMNAL3MBTL1

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