SCHEMBL7741762

SCHEMBL7741762

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
MAOB P27338 3/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NR4A2 P43354 1/20 0.35
LMNA P02545 4/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PARP10 Q53GL7 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ADAMTS4 O75173 2/20 0.34
ATM Q13315 1/20 0.34
MITF O75030 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 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
SCHEMBL7742973 0.93 NPC1 (0.39) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL7736860 0.92 MAOB (0.39) MAOBADAMTS4MMP2MMP13PPARG
SCHEMBL7743206 0.91 HDAC1 (0.35) HDAC1HDAC2MAOBMEN1KMT2A
SCHEMBL7496505 0.87 MAOB (0.43) MAOBNR4A2ADAMTS4MAPTHTT
SCHEMBL7498420 0.84 SMN1; SMN2 (0.36) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL8723874 0.84 KDM4E (0.32) RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL7499630 0.84 MAOB (0.31) MAOB
SCHEMBL8030454 0.83 L3MBTL1 (0.37) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL7495603 0.82 ALDH1A1 (0.34) ALDH1A1
SCHEMBL7493123 0.81 MAOB (0.41) MAOBNR4A2ADAMTS4MAPTHTT

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