SCHEMBL9799565

SCHEMBL9799565

CC(C)ONC(=O)CON=C(c1cccc(Cl)c1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SLC6A2 P23975 4/20 0.39
SLC6A3 Q01959 3/20 0.39
CYP2C19 P33261 2/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNG P07510 1/20 0.39
ITGA5 P08648 1/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
SLC6A4 P31645 1/20 0.39
CHRNA3 P32297 1/20 0.39
HRH1 P35367 1/20 0.39
CHRNA7 P36544 1/20 0.39
OPRK1 P41145 1/20 0.39
CHRNA4 P43681 1/20 0.39
CHRND Q07001 1/20 0.39
KCNH2 Q12809 1/20 0.39
CYP2B6 P20813 1/20 0.39

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
SCHEMBL9799633 0.81 PARP1 (0.46) MAPTCYP2C19ALDH1A1SMN1; SMN2MEN1
SCHEMBL10669808 0.72 NPSR1 (0.48) CYP2C19ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL10671693 0.70 NPSR1 (0.48) MAPTCYP2C19ALDH1A1SMN1; SMN2MEN1
SCHEMBL11027064 0.69 CES2 (0.49) ALDH1A1RHOCRHOAMEN1KMT2A
SCHEMBL10668548 0.69 SMN1; SMN2 (0.40) MAPTHPGDSLC6A2SLC6A3CYP2C19
SCHEMBL10668346 0.66 F2 (0.51) MAPTHPGDCYP2C19ALDH1A1MEN1
SCHEMBL9799924 0.66 L3MBTL1 (0.43) MAPTHPGDCYP2C19ALDH1A1SMN1; SMN2
SCHEMBL11040229 0.66 L3MBTL1 (0.43) MAPTHPGDCYP2C19ALDH1A1SMN1; SMN2
SCHEMBL9799587 0.65 PARP1 (0.44) MAPTSLC6A2SLC6A3CYP2C19CHRNA1
SCHEMBL9799583 0.65 PARP1 (0.44) MAPTSLC6A2SLC6A3CYP2C19CHRNA1

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-5041663-A Plant safening agents CIBA-GEIGY CORPORATION (US) 1991-08-20 US disclosed
US-5032169-A Antidotes for herbicides CIBA-GEIGY CORPORATION (US) 1991-07-16 US disclosed
US-4759789-A Treating locus of plant before or during application of herbicide with oxime ether compound CIBA-GEIGY CORPORATION (US) 1988-07-26 US disclosed
US-4566901-A PLANT SAFENING AGENTS CIBA-GEIGY CORPORATION (US) 1986-01-28 US disclosed