SCHEMBL7500162

SCHEMBL7500162

COC=C(C(=O)OC)c1ccccc1C(C)ON=CC(=NOC)c1ccc(CCc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.36
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
ADRA2C P18825 3/20 0.34
SLC6A2 P23975 3/20 0.34
HTR2C P28335 3/20 0.34
SLC6A4 P31645 3/20 0.34
OPRM1 P35372 3/20 0.34
DRD3 P35462 3/20 0.34
CASR P41180 2/20 0.34
ADRB1 P08588 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
CYP2D6 P10635 2/20 0.34
CHRM3 P20309 2/20 0.34
HRH1 P35367 2/20 0.34
SLC6A3 Q01959 2/20 0.34
KCNH2 Q12809 2/20 0.34
GHSR Q92847 2/20 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
SCHEMBL7498439 0.94 HIF1A (0.38) HIF1AKDM4EALDH1A1
SCHEMBL7742952 0.86 HIF1A (0.38) HIF1AHTTTHRB
SCHEMBL7496505 0.84 MAOB (0.43) HIF1AFFAR1FFAR4HTT
SCHEMBL7736872 0.83 HIF1A (0.43) HIF1AHTT
SCHEMBL7497482 0.83 HIF1A (0.38) HIF1AFFAR4HTTALDH1A1
SCHEMBL7493123 0.83 MAOB (0.41) HIF1AHTT
SCHEMBL7497710 0.83 MAOB (0.41) HIF1AFFAR1FFAR4HTT
SCHEMBL7736851 0.82 MAOB (0.41) HIF1AFFAR1FFAR4HTT
SCHEMBL7742072 0.82 ATM (0.37) HIF1ATDP1CYP2D6MEN1KMT2A
SCHEMBL8441800 0.82 MAPK14 (0.37) HIF1ACYP2D6CYP3A4CYP1A2CYP2C9

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
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
EP-0865424-A1 PESTICIDES Novartis AG (CH) 1998-09-23 EP disclosed
WO-1997020809-A1 PESTICIDES NOVARTIS AG (CH) 1997-06-12 WO disclosed