SCHEMBL7467425

SCHEMBL7467425

CCON=C(C(C)=NOCc1ccccc1N(C)C(=O)C=NOC)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.42
FFAR1 O14842 2/20 0.37
PPARG P37231 1/20 0.37
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
SLC6A5 Q9Y345 6/20 0.35
SPHK2 Q9NRA0 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
SLC2A1 P11166 1/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
PSEN1 P49768 1/20 0.34
MAOA P21397 1/20 0.34
HIF1A Q16665 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
SCHEMBL7466202 0.93 MEN1 (0.37) MAOBPPARGCYP1A1CYP1B1MAOA
SCHEMBL7467535 0.90 MAOB (0.46) MAOBSPHK2SPHK1MAOA
SCHEMBL7464103 0.83 UTS2R (0.33) MAOBHIF1A
SCHEMBL8398044 0.81 FFAR1 (0.42) MAOBFFAR1PPARGCYP1A1CYP1B1
SCHEMBL6697614 0.81 MEN1 (0.39) MAOBPPARGMAOA
SCHEMBL7470378 0.80 FFAR1 (0.34) FFAR1PPARG
SCHEMBL7499090 0.78 HIF1A (0.47) MAOBFFAR1PPARGSLC6A5SPHK2
SCHEMBL7465132 0.78 MAOB (0.43) MAOBFFAR1PPARGSLC6A5SPHK2
SCHEMBL7465129 0.78 MAOB (0.43) MAOBFFAR1PPARGSLC6A5SPHK2
SCHEMBL8398891 0.73 FFAR1 (0.41) MAOBFFAR1PPARGCYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865424-B1 PESTICIDES BAYER AG (DE) 2002-09-18 EP disclosed
US-6420423-B1 PESTICIDE FOR USE ON CEREALS, BEETS, FRUITS, BERRIES, AND BEANS; KILLS MITES, INSECTS, TERMITES, LICE, FLEAS, AND FUNGUS; TOLERATED WELL BE ANIMALS, PLANTS, AND FISH BAYER AKTIENGESELLSCHAFT (DE) 2002-07-16 US 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