SCHEMBL7742072

SCHEMBL7742072

COC=C(C(=O)OC)c1ccccc1C(C)ON=CC(=NOC)c1ccc(CCc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HIF1A Q16665 1/20 0.34
POLB P06746 3/20 0.33
LMNA P02545 4/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK1 P28482 1/20 0.32
NLRP1 Q9C000 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 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
SCHEMBL7868787 0.83 SMN1; SMN2 (0.32) L3MBTL1HIF1ALMNATDP1MAPT
SCHEMBL7498439 0.83 HIF1A (0.38) HIF1AALDH1A1
SCHEMBL7500162 0.82 HIF1A (0.36) HIF1ACYP1A2CYP2D6CYP2C9MEN1
SCHEMBL8443188 0.82 PTGER4 (0.33) L3MBTL1HIF1ACYP1A2CYP2D6CYP2C9
SCHEMBL7863552 0.81 ALDH1A1 (0.34) ATML3MBTL1MAPK1MEN1KMT2A
SCHEMBL7744876 0.79 MAPT (0.35) L3MBTL1POLBLMNAMEN1KMT2A
SCHEMBL7498420 0.78 SMN1; SMN2 (0.36) L3MBTL1MEN1KMT2ATDP1MAPT
SCHEMBL7742973 0.78 NPC1 (0.39) ATML3MBTL1HIF1APOLBLMNA
SCHEMBL8440483 0.77 KDM4E (0.32) L3MBTL1HIF1ATDP1
SCHEMBL8030454 0.77 L3MBTL1 (0.37) L3MBTL1HIF1ACYP1A2CYP2D6CYP2C9

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 4 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
EP-0865424-A1 PESTICIDES Novartis AG (CH) 1998-09-23 EP disclosed
WO-1997020809-A1 PESTICIDES NOVARTIS AG (CH) 1997-06-12 WO disclosed