SCHEMBL16627752

SCHEMBL16627752

Cn1c(=O)c(C(=O)Nc2ccc(Cl)cc2)cc2ccccc21

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.81
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
RAB9A P51151 2/20 0.54
RXFP1 Q9HBX9 1/20 0.54
MAPT P10636 4/20 0.53
NPC1 O15118 3/20 0.53
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 1/20 0.48
DAO P14920 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
MAOB P27338 2/20 0.46
F12 P00748 1/20 0.46
AKR1C3 P42330 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
SCHEMBL16627820 0.90 AHR (1.00) AHRMEN1KMT2ARAB9AMAPT
SCHEMBL30237030 0.89 AHR (0.85) AHRMEN1KMT2ARAB9ANPC1
SCHEMBL1397253 0.89 AHR (0.85) AHRMEN1KMT2ARAB9ANPC1
SCHEMBL16627821 0.88 AHR (0.83) AHRMEN1KMT2ARAB9ARXFP1
SCHEMBL16627756 0.87 AHR (1.00) AHRMEN1KMT2ARAB9ANPC1
SCHEMBL25224642 0.85 AHR (1.00) AHRMEN1KMT2ARAB9AMAPT
SCHEMBL16627668 0.85 AHR (0.77) AHRMEN1KMT2ARAB9AMAPT
SCHEMBL30237205 0.85 AHR (1.00) AHRMEN1KMT2ARAB9AMAPT
SCHEMBL30395644 0.85 AHR (0.77) AHRRAB9AMAPTNPC1MAPK1
SCHEMBL25203869 0.85 AHR (0.77) AHRRAB9AMAPTNPC1MAPK1

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