SCHEMBL16627585

SCHEMBL16627585

O=C(Nc1cccc2[nH]c(=O)c(C(=O)Nc3ccc(Cl)cc3)cc12)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
POLB P06746 2/20 0.52
PARP1 P09874 2/20 0.52
DUSP3 P51452 1/20 0.51
PTPN5 P54829 1/20 0.51
CASP6 P55212 1/20 0.51
PTPN11 Q06124 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
CD40 P25942 3/20 0.48
CD40LG P29965 3/20 0.48
P2RY2 P41231 1/20 0.47
GPR17 Q13304 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MITF O75030 1/20 0.46
LMNA P02545 1/20 0.46
PHGDH O43175 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
SCHEMBL16627879 0.86 MAPT (0.51) MEN1KMT2APARP1RXFP1NPC1
SCHEMBL16627806 0.85 NHERF1 (0.49) MEN1KMT2APOLBPARP1RXFP1
SCHEMBL16627753 0.80 ABCG2 (0.51) MEN1KMT2APOLBPARP1DUSP3
SCHEMBL16627819 0.79 BRD4 (0.54) MEN1KMT2APOLBPARP1RXFP1
SCHEMBL16627749 0.78 MEN1 (0.58) MEN1KMT2APOLBHDAC6ABCG2
SCHEMBL16627818 0.77 RXFP1 (0.53) MEN1KMT2APOLBPARP1RXFP1
SCHEMBL7372420 0.77 KMT2A (0.71) MEN1KMT2APOLBP2RY2GPR17
SCHEMBL10940496 0.77 KMT2A (0.71) MEN1KMT2APOLBP2RY2GPR17
SCHEMBL16627678 0.76 PARP14 (0.52) MEN1KMT2APOLBRXFP1LMNA
SCHEMBL16627822 0.75 MAPT (0.58) MEN1KMT2APOLBABCG2RXFP1

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