SCHEMBL7470378

SCHEMBL7470378

CCON=C(C(C)=NOCc1ccccc1N(C)C(=O)C=NOC)c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
HTR2A P28223 1/20 0.33
KCNH2 Q12809 1/20 0.33
PTGS2 P35354 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP3A5 P20815 1/20 0.31
CYP2C19 P33261 1/20 0.31
BCL2L1 Q07817 1/20 0.31
MCL1 Q07820 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
KMO O15229 1/20 0.31
MGLL Q99685 1/20 0.30
SCN9A Q15858 1/20 0.30
LGALS8 O00214 2/20 0.30
LGALS3 P17931 2/20 0.30

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
SCHEMBL7464103 0.92 UTS2R (0.33) SLC6A2SLC6A4SLC6A3HTR2APTGS2
SCHEMBL7466202 0.88 MEN1 (0.37) PPARGPPARA
SCHEMBL7467535 0.81 MAOB (0.46)
SCHEMBL7467425 0.80 MAOB (0.42) FFAR1PPARG
SCHEMBL7498528 0.77 HIF1A (0.39) FFAR1SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL7469941 0.76 ALDH1A1 (0.35) FFAR1SLC6A4HTR2AKCNH2PTGS2
SCHEMBL7469944 0.76 ALDH1A1 (0.35) FFAR1SLC6A4HTR2AKCNH2PTGS2
SCHEMBL6697614 0.75 MEN1 (0.39) PTGS2PPARGPPARA
SCHEMBL8149207 0.74 PTGS2 (0.34) PTGS2
SCHEMBL8399143 0.71 MAOB (0.39) SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865424-B1 PESTICIDES BAYER AG (DE) 2002-09-18 EP disclosed
EP-1207152-A2 Pesticides Bayer Aktiengesellschaft (DE) 2002-05-22 EP disclosed
US-5985921-A OXIDATION AND HYDROGENATION OF COMPOUNDS TO FORM INSECTICIDES AS AGROCHEMICALS NOVARTIS CORPORATION (US) 1999-11-16 US disclosed
EP-0865424-A1 PESTICIDES Novartis AG (CH) 1998-09-23 EP disclosed
WO-1997020809-A1 PESTICIDES NOVARTIS AG (CH) 1997-06-12 WO disclosed