SCHEMBL16627633

SCHEMBL16627633

CCc1ccc(Nc2cc3ccccc3[nH]c2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
GAA P10253 2/20 0.44
HIF1A Q16665 1/20 0.44
HPGD P15428 1/20 0.44
DAO P14920 2/20 0.43
DDO Q99489 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHEK1 O14757 1/20 0.41
KDR P35968 1/20 0.41
APAF1 O14727 1/20 0.41
MITF O75030 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CTSV O60911 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
SCHEMBL16627634 0.86 DAO (0.46) BRD4KDM4EALDH1A1MAPTGAA
SCHEMBL16627659 0.84 BRD4 (0.58) BRD4KDM4EALDH1A1MAPTGAA
SCHEMBL16627639 0.84 PYGM (0.55) BRD4KDM4EALDH1A1MAPTHPGD
SCHEMBL16627871 0.83 KDM4E (0.47) BRD4KDM4EALDH1A1MAPTGAA
SCHEMBL16627640 0.83 BRD4 (0.45) BRD4KDM4EALDH1A1MAPTGAA
SCHEMBL16627647 0.81 DAO (0.54) BRD4KDM4EALDH1A1MAPTGAA
SCHEMBL16627731 0.79 BRD4 (0.55) BRD4KDM4EALDH1A1MAPTGAA
SCHEMBL16627631 0.78 BRD4 (0.43) BRD4KDM4EALDH1A1MAPTGAA
SCHEMBL16627660 0.77 HPGD (0.50) BRD4KDM4EMAPTGAAHPGD
SCHEMBL34468752 0.76 MAOB (0.60) ALDH1A1MAPTMEN1KMT2ANPC1

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