Isoxaflutole

Isoxaflutole

SCHEMBL21645075

CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)c1cnoc1C1CC1.CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.48
CACNA1B Q00975 7/20 0.43
NR1I2 O75469 3/20 0.43
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 2/20 0.38
NPC1 O15118 1/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
HTR1A P08908 1/20 0.38
THRB P10828 1/20 0.38
PIM1 P11309 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAOA P21397 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
AGTR1 P30556 1/20 0.38
CCKBR P32239 1/20 0.38

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
Isoxaflutole SCHEMBL29355326 1.00 DHODH (0.48) DHODHCACNA1BNR1I2MEN1KMT2A
Isoxaflutole SCHEMBL66989 1.00 DHODH (0.48) DHODHCACNA1BNR1I2MEN1KMT2A
Isoxaflutole SCHEMBL20723475 0.99 DHODH (0.47) DHODHCACNA1BNR1I2MEN1KMT2A
Isoxaflutole SCHEMBL20723459 0.99 DHODH (0.47) DHODHCACNA1BNR1I2MEN1KMT2A
Isoxaflutole SCHEMBL28263023 0.98 DHODH (0.47) DHODHCACNA1BNR1I2MEN1KMT2A
Isoxaflutole SCHEMBL19859097 0.95 DHODH (0.44) DHODHCACNA1BNR1I2MEN1KMT2A
Isoxaflutole SCHEMBL4661049 0.94 DHODH (0.43) DHODHCACNA1BNR1I2MEN1KMT2A
Isoxaflutole SCHEMBL15798456 0.93 DHODH (0.43) DHODHCACNA1BNR1I2MEN1KMT2A
Isoxaflutole SCHEMBL18115355 0.89 DHODH (0.40) DHODHCACNA1BNR1I2MEN1KMT2A
Isoxaflutole SCHEMBL19463794 0.87 DHODH (0.39) DHODHCACNA1BNR1I2MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3829309-A1 CAPSULE SUSPENSIONS WITH AGROCHEMICAL ACTIVE INGREDIENTS Bayer Aktiengesellschaft (DE) 2021-06-09 EP disclosed
CN-112702915-A Capsule suspension containing agrochemical active ingredients 拜耳公司 2021-04-23 CN disclosed
WO-2020025566-A1 CAPSULE SUSPENSIONS WITH AGROCHEMICAL ACTIVE INGREDIENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-02-06 WO disclosed