SCHEMBL7500258

SCHEMBL7500258

C#CCON=C(C=NOC(C)c1ccccc1C(=NOC)C(=O)OC)c1ccc(OCc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 7/20 0.46
MAOB P27338 4/20 0.41
NR4A2 P43354 1/20 0.40
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
ADAMTS4 O75173 1/20 0.37
MMP13 P45452 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADCYAP1R1 P41586 1/20 0.36

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
SCHEMBL8542661 0.95 MAOB (0.40) HIF1AMAOBNR4A2SPHK2SPHK1
SCHEMBL7736851 0.90 MAOB (0.41) HIF1AMAOBNR4A2SPHK2SPHK1
SCHEMBL7496505 0.82 MAOB (0.43) HIF1AMAOBNR4A2SPHK2SPHK1
SCHEMBL7498166 0.81 HIF1A (0.42) HIF1AMAOBMMP13MAPT
SCHEMBL7493123 0.80 MAOB (0.41) HIF1AMAOBNR4A2SPHK2SPHK1
SCHEMBL7497710 0.80 MAOB (0.41) HIF1AMAOBNR4A2SPHK2SPHK1
SCHEMBL8721319 0.79 HIF1A (0.40) HIF1AADAMTS4MMP13
SCHEMBL7500251 0.78 HIF1A (0.57) HIF1AMAOBNR4A2SPHK2SPHK1
SCHEMBL7499092 0.78 MAOB (0.39) HIF1AMAOBSPHK2SPHK1ADAMTS4
SCHEMBL7743206 0.78 HDAC1 (0.35) MAOBNR4A2ADAMTS4MMP13

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