SCHEMBL7083430

SCHEMBL7083430

C[S+]([O-])c1noc(C2CC2)c1C(=O)c1ccc(C(F)(F)F)cc1S(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 13/20 0.40
NR1I2 O75469 5/20 0.40
SLC6A9 P48067 1/20 0.35
CYP3A4 P08684 3/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGDR2 Q9Y5Y4 3/20 0.33
TYK2 P29597 1/20 0.33

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
SCHEMBL6054814 0.83 CACNA1B (0.40) CACNA1BNR1I2MEN1KMT2APTGDR2
SCHEMBL8495216 0.83 CFTR (0.38) CACNA1BNR1I2MEN1KMT2APTGDR2
SCHEMBL6054858 0.83 CACNA1B (0.39) CACNA1BNR1I2MEN1KMT2APTGDR2
SCHEMBL6599147 0.79 NPC1 (0.34) MEN1KMT2A
SCHEMBL6054776 0.79 MLYCD (0.38) CACNA1BNR1I2PTGDR2
Isoxaflutole SCHEMBL29355326 0.79 DHODH (0.48) CACNA1BNR1I2CYP3A4MEN1KMT2A
Isoxaflutole SCHEMBL66989 0.79 DHODH (0.48) CACNA1BNR1I2CYP3A4MEN1KMT2A
Isoxaflutole SCHEMBL21645075 0.79 DHODH (0.48) CACNA1BNR1I2CYP3A4MEN1KMT2A
Isoxaflutole SCHEMBL20723459 0.78 DHODH (0.47) CACNA1BNR1I2CYP3A4MEN1KMT2A
Isoxaflutole SCHEMBL20723475 0.78 DHODH (0.47) CACNA1BNR1I2CYP3A4MEN1KMT2A

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
EP-1066270-B1 ISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2003-07-30 EP disclosed
US-6255251-B1 CONTROLLING WEEDS SYNGENTA CROP PROTECTION, INC. 2001-07-03 US disclosed
EP-1066270-A1 ISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES Novartis AG (CH) 2001-01-10 EP disclosed
WO-1999051583-A1 ISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES NOVARTIS AG (CH) 1999-10-14 WO disclosed