SCHEMBL7500249

SCHEMBL7500249

C#CCO/N=C(C(\C)=C(/ON)c1ccccc1/C(=N\OC)C(=O)OC)/c1ccc(OCc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 6/20 0.49
MAOB P27338 8/20 0.46
NR4A2 P43354 1/20 0.43
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL8542647 0.95 MAOB (0.45) HIF1AMAOBNR4A2MAPTHTT
SCHEMBL7736845 0.90 MAOB (0.44) HIF1AMAOBNR4A2MAPTHTT
SCHEMBL7500251 0.85 HIF1A (0.57) HIF1AMAOBNR4A2MAPTHTT
SCHEMBL7465788 0.81 MAOB (0.47) HIF1AMAOBNR4A2MAPTHTT
SCHEMBL7742091 0.81 MAOB (0.47) HIF1AMAOBNR4A2MAPTHTT
SCHEMBL8542652 0.80 HIF1A (0.51) HIF1AMAOBNR4A2MAPTHTT
SCHEMBL7498151 0.80 HIF1A (0.46) HIF1AMAPT
SCHEMBL7797180 0.80 MAOB (0.55) MAOBNR4A2MAPTHTTL3MBTL1
SCHEMBL7797177 0.80 MAOB (0.55) MAOBNR4A2MAPTHTTL3MBTL1
SCHEMBL6839176 0.80 MAOB (0.63) MAOBNR4A2MAPTHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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