SCHEMBL16627753

SCHEMBL16627753

Cn1c(=O)c(C(=O)Nc2ccc(Cl)cc2)cc2c(NC(=O)c3ccc([N+](=O)[O-])cc3)cccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.51
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
MAPT P10636 4/20 0.49
POLB P06746 2/20 0.48
HDAC6 Q9UBN7 1/20 0.47
CD40 P25942 1/20 0.47
CD40LG P29965 1/20 0.47
P2RY2 P41231 1/20 0.46
GPR17 Q13304 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
F10 P00742 1/20 0.46
PARP1 P09874 1/20 0.46
NPC1 O15118 1/20 0.45
MITF O75030 1/20 0.45
RAB9A P51151 1/20 0.45
DUSP3 P51452 1/20 0.45
PTPN5 P54829 1/20 0.45
CASP6 P55212 1/20 0.45
PTPN11 Q06124 1/20 0.45

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
SCHEMBL16627749 0.89 MEN1 (0.58) ABCG2MEN1KMT2AMAPTPOLB
SCHEMBL16627814 0.87 F10 (0.48) MEN1KMT2AMAPTPOLBRXFP1
SCHEMBL16627656 0.85 F10 (0.47) MEN1KMT2AMAPTPOLBRXFP1
SCHEMBL16627754 0.85 RAB9A (0.49) ABCG2MEN1KMT2AMAPTPOLB
SCHEMBL16627803 0.85 F10 (0.47) MEN1KMT2AMAPTRXFP1F10
SCHEMBL16627585 0.80 MEN1 (0.52) ABCG2MEN1KMT2AMAPTPOLB
SCHEMBL16627824 0.75 MEN1 (0.47) MEN1KMT2AMAPTPOLBRXFP1
SCHEMBL16627877 0.75 MAPT (0.47) MEN1KMT2AMAPTPOLBF10
SCHEMBL10940496 0.75 KMT2A (0.71) MEN1KMT2AMAPTPOLBP2RY2
SCHEMBL7372420 0.75 KMT2A (0.71) MEN1KMT2AMAPTPOLBP2RY2

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