SCHEMBL16627882

SCHEMBL16627882

CCc1ccc(CNC(=O)c2cc3ccccc3n(C(=O)Cc3ccc([N+](=O)[O-])cc3)c2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ADORA2A P29274 1/20 0.42
RXFP1 Q9HBX9 2/20 0.41
GAA P10253 1/20 0.41
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
HPGD P15428 1/20 0.39
GSK3B P49841 1/20 0.38
MAPT P10636 1/20 0.38
PPARG P37231 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL16627714 0.88 SMN1; SMN2 (0.43) KMT2AMEN1SMN1; SMN2MAPTKDM4E
SCHEMBL16627884 0.87 SMN1; SMN2 (0.43) SMN1; SMN2ADORA2AHPGDMAPTKDM4E
SCHEMBL16627881 0.87 SMN1; SMN2 (0.50) KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL16627883 0.87 SMN1; SMN2 (0.43) SMN1; SMN2RXFP1MAPTKDM4E
SCHEMBL16627836 0.76 NR1H2 (0.42) KMT2AMEN1MAPTKDM4E
SCHEMBL16627769 0.76 CNR1 (0.47) KMT2AMEN1SMN1; SMN2ADORA2APPARG
SCHEMBL16627841 0.75 NR1H2 (0.41) KMT2AMEN1GAAMAPTKDM4E
SCHEMBL16627837 0.75 NR1H2 (0.41) KMT2AMEN1MAPTKDM4E
SCHEMBL16627833 0.75 TDP1 (0.50) KMT2AMEN1SMN1; SMN2RXFP1KDM4E
SCHEMBL16627771 0.75 SMN1; SMN2 (0.45) KMT2AMEN1SMN1; SMN2ADORA2AMAPT

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