SCHEMBL7467535

SCHEMBL7467535

CCON=C(C(C)=NOCc1ccccc1N(C)C(=O)C=NOC)c1ccc(OCc2ccccc2C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.46
MAOA P21397 2/20 0.46
SPHK2 Q9NRA0 4/20 0.38
SPHK1 Q9NYA1 4/20 0.38
EPHX2 P34913 1/20 0.34
ADAMTS4 O75173 1/20 0.34
MMP13 P45452 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
ALOX5 P09917 1/20 0.33
ALOX5AP P20292 1/20 0.33
RXRA P19793 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
SRD5A2 P31213 1/20 0.33
POLQ O75417 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7467425 0.90 MAOB (0.42) MAOBMAOASPHK2SPHK1
SCHEMBL7466202 0.88 MEN1 (0.37) MAOBMAOAEPHX2KMT2A
SCHEMBL7464103 0.84 UTS2R (0.33) MAOBKMT2A
SCHEMBL7470378 0.81 FFAR1 (0.34)
SCHEMBL7496684 0.78 MAOB (0.48) MAOBMAOASPHK2SPHK1ADAMTS4
SCHEMBL8398044 0.77 FFAR1 (0.42) MAOBMAOARXRANR1H2NR1H3
SCHEMBL8396125 0.75 RXRA (0.42) MAOBMAOASPHK2SPHK1EPHX2
SCHEMBL6697614 0.75 MEN1 (0.39) MAOBMAOAEPHX2KMT2A
SCHEMBL8399075 0.74 KMT2A (0.42) MAOBKDM4EKMT2A
SCHEMBL8400501 0.73 FFAR1 (0.40) MAOBMAOAKDM4EKMT2A

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 6 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
EP-0865424-A1 PESTICIDES Novartis AG (CH) 1998-09-23 EP disclosed
WO-1997020809-A1 PESTICIDES NOVARTIS AG (CH) 1997-06-12 WO disclosed