SCHEMBL7743206

SCHEMBL7743206

C#CCON=C(C=NOC(C)c1ccccc1C(=COC)C(=O)OC)c1ccc(OCc2ccc(F)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
MAOB P27338 5/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NR4A2 P43354 1/20 0.33
PARP10 Q53GL7 1/20 0.33
ADAMTS4 O75173 2/20 0.33
MMP2 P08253 1/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAOA P21397 1/20 0.32
PLA2G1B P04054 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
PPARA Q07869 1/20 0.31
FFAR1 O14842 1/20 0.31

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
SCHEMBL7741762 0.91 HDAC1 (0.37) HDAC1HDAC2MAOBMEN1KMT2A
SCHEMBL7736851 0.88 MAOB (0.41) MAOBNR4A2ADAMTS4MMP13FFAR1
SCHEMBL7742973 0.85 NPC1 (0.39) MAOBMEN1KMT2ALMNANR4A2
SCHEMBL7736860 0.84 MAOB (0.39) MAOBADAMTS4MMP2MMP13PPARA
SCHEMBL7496505 0.79 MAOB (0.43) MAOBNR4A2ADAMTS4MMP13FFAR1
SCHEMBL8440483 0.78 KDM4E (0.32)
SCHEMBL7744876 0.78 MAPT (0.35) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL7493123 0.78 MAOB (0.41) MAOBNR4A2ADAMTS4MMP13
SCHEMBL7500258 0.78 HIF1A (0.46) MAOBNR4A2ADAMTS4MMP13
SCHEMBL7497710 0.78 MAOB (0.41) MAOBNR4A2ADAMTS4MMP13FFAR1

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 2 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
US-5985921-A OXIDATION AND HYDROGENATION OF COMPOUNDS TO FORM INSECTICIDES AS AGROCHEMICALS NOVARTIS CORPORATION (US) 1999-11-16 US disclosed