SCHEMBL6182249

SCHEMBL6182249

CS(=O)(=O)c1c(C(=O)c2cnoc2C2CC2)ccc2c1OC(F)(F)O2

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.34
SMYD3 Q9H7B4 1/20 0.32
EPHX2 P34913 1/20 0.32
CYP17A1 P05093 1/20 0.32
NAMPT P43490 1/20 0.31
SCN9A Q15858 1/20 0.31
RORC P51449 1/20 0.30
IDO1 P14902 1/20 0.30
PDE2A O00408 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
CXCR2 P25025 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
SCHEMBL6182206 0.86 DHODH (0.32) DHODHSMYD3EPHX2CYP17A1NAMPT
SCHEMBL6180761 0.85 DHODH (0.35) DHODHEPHX2NAMPTPDE2A
SCHEMBL6181189 0.84 NPC1 (0.35) DHODHSMYD3PDE2A
SCHEMBL6187091 0.84 DHODH (0.33) DHODHSMYD3NAMPTPDE2A
SCHEMBL6181368 0.83 DHODH (0.34) DHODHSMYD3EPHX2CYP17A1NAMPT
SCHEMBL6183375 0.82 DHODH (0.33) DHODHSMYD3EPHX2CYP17A1NAMPT
SCHEMBL6182230 0.81 DHODH (0.37) DHODHSMYD3EPHX2CYP17A1NAMPT
SCHEMBL8491101 0.79 DHODH (0.37) DHODHEPHX2NAMPTPDE2A
SCHEMBL9115094 0.78 DHODH (0.34) DHODHSMYD3NAMPTPDE2ACXCR2
SCHEMBL6054846 0.78 DHODH (0.35) DHODHEPHX2PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1160244-B1 Isoxazole derivatives and their use as herbicides BAYER AGRICULTURE LTD (GB) 2005-10-19 EP claimed
EP-1160244-A1 Isoxazole derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LIMITED (GB) 2001-12-05 EP claimed
US-5489570-A PRE- OR POST-EMERGENCE RHONE-POULENC AGRICULTURE LIMITED (GB) 1996-02-06 US claimed
EP-0636622-A1 Isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-02-01 EP claimed
EP-1160244-B1 Isoxazole derivatives and their use as herbicides BAYER AGRICULTURE LTD (GB) 2005-10-19 EP disclosed
EP-1160244-A1 Isoxazole derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LIMITED (GB) 2001-12-05 EP disclosed
US-5489570-A PRE- OR POST-EMERGENCE RHONE-POULENC AGRICULTURE LIMITED (GB) 1996-02-06 US disclosed
WO-1995025099-A1 2-CYANO-1,3-DIONE DERIVATIVES USEFUL AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1995-09-21 WO disclosed
EP-0636622-A1 Isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-02-01 EP disclosed