SCHEMBL8391502

SCHEMBL8391502

CS(=O)(=O)c1ccc(C(=O)c2cnoc2C2CC2)c(C(F)(F)F)c1S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.39
CRACR2A Q9BSW2 2/20 0.34
EPHX2 P34913 2/20 0.33
PDE2A O00408 1/20 0.31
NR1I2 O75469 2/20 0.31
CACNA1B Q00975 2/20 0.31
SLC9A1 P19634 1/20 0.30
CYP3A4 P08684 2/20 0.30
NPC1 O15118 1/20 0.30
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
HTR1A P08908 1/20 0.30
THRB P10828 1/20 0.30
PIM1 P11309 1/20 0.30
CYP2C9 P11712 1/20 0.30
MAOA P21397 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2A P28223 1/20 0.30

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
SCHEMBL8752730 0.88 DHODH (0.39) DHODHCRACR2AEPHX2NR1I2CACNA1B
SCHEMBL8390806 0.86 DHODH (0.38) DHODHCRACR2AEPHX2PDE2A
SCHEMBL8752745 0.85 DHODH (0.34) DHODHCRACR2AEPHX2PDE2ALMNA
Isoxaflutole SCHEMBL66989 0.82 DHODH (0.48) DHODHCRACR2ANR1I2CACNA1BCYP3A4
Isoxaflutole SCHEMBL21645075 0.82 DHODH (0.48) DHODHCRACR2ANR1I2CACNA1BCYP3A4
Isoxaflutole SCHEMBL29355326 0.82 DHODH (0.48) DHODHCRACR2ANR1I2CACNA1BCYP3A4
SCHEMBL8391797 0.82 MEN1 (0.41) NPC1LMNARAB9ASMN1; SMN2NPSR1
Isoxaflutole SCHEMBL20723475 0.81 DHODH (0.47) DHODHCRACR2ANR1I2CACNA1BCYP3A4
Isoxaflutole SCHEMBL20723459 0.81 DHODH (0.47) DHODHCRACR2ANR1I2CACNA1BCYP3A4
SCHEMBL9069510 0.81 DHODH (0.36) DHODHCRACR2AEPHX2PDE2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0682659-B1 4-Benzoyl isoxazole derivatives, their preparation and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1997-04-16 EP claimed
EP-0682659-A1 4-BENZOYL ISOXAZOLES AND THEIR USE AS HERBICIDES. RHONE POULENC AGRICULTURE (GB) 1995-11-22 EP claimed
WO-1994018179-A1 4-BENZOYL ISOXAZOLES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LTD (GB) 1994-08-18 WO claimed
US-5856274-A 4-benzoyl isoxazoles and their use as herbicides RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-05 US disclosed
EP-0682659-B1 4-Benzoyl isoxazole derivatives, their preparation and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1997-04-16 EP disclosed
EP-0682659-A1 4-BENZOYL ISOXAZOLES AND THEIR USE AS HERBICIDES. RHONE POULENC AGRICULTURE (GB) 1995-11-22 EP disclosed
WO-1994018179-A1 4-BENZOYL ISOXAZOLES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LTD (GB) 1994-08-18 WO disclosed