SCHEMBL7499092

SCHEMBL7499092

CCON=C(C=NOC(C)c1ccccc1C(=NOC)C(=O)NC)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.39
HIF1A Q16665 2/20 0.37
FFAR1 O14842 2/20 0.36
PPARG P37231 1/20 0.36
SLC6A5 Q9Y345 6/20 0.35
SPHK2 Q9NRA0 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
ADAMTS4 O75173 1/20 0.35
MMP13 P45452 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
MME P08473 1/20 0.34
ACE P12821 1/20 0.34
CPA1 P15085 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
PPARA Q07869 1/20 0.33

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
SCHEMBL7492711 0.92 MAPK14 (0.34) MAOBHIF1ACYP1A1CYP1B1
SCHEMBL7496689 0.89 MAOB (0.41) MAOBHIF1APPARGSPHK2SPHK1
SCHEMBL7736860 0.85 MAOB (0.39) MAOBHIF1AFFAR1PPARGSLC6A5
SCHEMBL8544638 0.83 MAPK14 (0.35) HIF1APPARG
SCHEMBL7495786 0.83 HIF1A (0.33) MAOBHIF1A
SCHEMBL7495599 0.81 ALDH1A1 (0.38)
SCHEMBL7505113 0.81 PLK1 (0.39)
SCHEMBL7498531 0.80 HTR2A (0.33) FFAR1
SCHEMBL7503280 0.80 MAPT (0.35) HIF1A
SCHEMBL7494042 0.80 MAPK14 (0.36) MAOBHIF1A

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