SCHEMBL16627879

SCHEMBL16627879

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
GAA P10253 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
KDR P35968 2/20 0.48
PARP1 P09874 1/20 0.48
F10 P00742 1/20 0.48
RXFP1 Q9HBX9 2/20 0.46
STK33 Q9BYT3 1/20 0.45
BRAF P15056 1/20 0.45
TP53 P04637 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
PRSS12 P56730 3/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA12 O43570 1/20 0.44

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
SCHEMBL16627818 0.91 RXFP1 (0.53) MAPTKMT2AMEN1PARP1RXFP1
SCHEMBL16627806 0.88 NHERF1 (0.49) MAPTGAAKMT2AKDM4EMEN1
SCHEMBL16627876 0.87 RXFP1 (0.44) MAPTKMT2AKDM4EMEN1RXFP1
SCHEMBL16627585 0.86 MEN1 (0.52) MAPTGAAKMT2AKDM4EMEN1
SCHEMBL16627819 0.82 BRD4 (0.54) MAPTKMT2AMEN1PARP1RXFP1
SCHEMBL16627678 0.79 PARP14 (0.52) MAPTGAAKMT2AKDM4EMEN1
SCHEMBL16627814 0.78 F10 (0.48) MAPTGAAKMT2AMEN1F10
SCHEMBL16627828 0.77 PARP14 (0.52) MAPTGAAKMT2AKDM4EMEN1
SCHEMBL16627877 0.76 MAPT (0.47) MAPTKMT2AKDM4EMEN1KDR
SCHEMBL4168784 0.74 KMT2A (0.65) MAPTGAAKMT2AMEN1TP53

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