SCHEMBL6183375

SCHEMBL6183375

C[S+]([O-])c1c(C(=O)c2cnoc2C2CC2)ccc2c1OC(F)(F)O2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.33
EPHX2 P34913 2/20 0.33
NAMPT P43490 1/20 0.31
PDE2A O00408 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31
CYP17A1 P05093 1/20 0.31

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
SCHEMBL6181368 0.84 DHODH (0.34) DHODHEPHX2NAMPTPDE2ASMYD3
SCHEMBL6182710 0.83 PDE2A (0.33) DHODHEPHX2PDE2A
SCHEMBL6182121 0.83 PDE2A (0.35) DHODHEPHX2PDE2A
SCHEMBL6182249 0.82 DHODH (0.34) DHODHEPHX2NAMPTPDE2ASMYD3
SCHEMBL6182230 0.80 DHODH (0.37) DHODHEPHX2NAMPTSMYD3CYP17A1
SCHEMBL6182206 0.78 DHODH (0.32) DHODHEPHX2NAMPTSMYD3CYP17A1
SCHEMBL9238950 0.77 DHODH (0.35) DHODHEPHX2PDE2A
SCHEMBL8488723 0.77 DHODH (0.35) DHODHEPHX2PDE2A
SCHEMBL9116693 0.77 PDE2A (0.33) DHODHEPHX2PDE2A
SCHEMBL9116441 0.77 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