SCHEMBL8416182

SCHEMBL8416182

COc1c(NOCc2ccccc2)ccnc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 1/20 0.36
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR1A P08908 3/20 0.35
ADRA1D P25100 3/20 0.35
ADRA1A P35348 3/20 0.35
ADRA1B P35368 3/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
STAT3 P40763 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BCHE P06276 1/20 0.35
ATP4A P20648 1/20 0.34
ATP4B P51164 1/20 0.34

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
SCHEMBL8415131 0.87 HTR1A (0.37) NPC1RAB9AL3MBTL1MAOAMAPT
SCHEMBL8706829 0.84 GAK (0.38) NPC1RAB9AL3MBTL1MAOASMN1; SMN2
SCHEMBL8840390 0.83 NPC1 (0.37) NPC1RAB9AMAOBHTR1AADRA1D
SCHEMBL8708906 0.83 NPC1 (0.37) NPC1RAB9AMAOBHTR1AADRA1D
SCHEMBL8840607 0.78 MAPT (0.36) NPC1RAB9AMAPTGAASMN1; SMN2
SCHEMBL8840545 0.76 NPC1 (0.33) NPC1RAB9AL3MBTL1BCHE
SCHEMBL4688192 0.76 L3MBTL1 (0.50) L3MBTL1MAOAMAOBMAPTMAPK1
SCHEMBL8840398 0.73 HTR1A (0.35) NPC1RAB9AL3MBTL1MAPTTDP1
SCHEMBL5583648 0.73 BCHE (0.50) L3MBTL1MAPTMAPK1TDP1HTR1A
SCHEMBL8840547 0.72 MEN1 (0.32) NPC1RAB9AL3MBTL1MAOBMAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5877322-A Substituted pyridines, their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1999-03-02 US disclosed
US-5723450-A Substituted pyridines, their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1998-03-03 US disclosed
US-5650417-A Substituted pyridines, their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1997-07-22 US disclosed
EP-0719255-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES Hoechst Schering AgrEvo GmbH (DE) 1996-07-03 EP disclosed
EP-0719256-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES Hoechst Schering AgrEvo GmbH (DE) 1996-07-03 EP disclosed
EP-0719257-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES Hoechst Schering AgrEvo GmbH (DE) 1996-07-03 EP disclosed
WO-1995007891-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 WO disclosed
WO-1995007890-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 WO disclosed
WO-1995007892-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 WO disclosed