SCHEMBL6180761

SCHEMBL6180761

CS(=O)(=O)c1ccc(C(=O)c2cnoc2C2CC2)c2c1OC(F)(F)O2

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.35
EPHX2 P34913 2/20 0.33
NAMPT P43490 1/20 0.31
PDE2A O00408 1/20 0.31
CRACR2A Q9BSW2 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
SCHEMBL6182249 0.85 DHODH (0.34) DHODHEPHX2NAMPTPDE2A
SCHEMBL6183936 0.83 DHODH (0.35) DHODHEPHX2NAMPTPDE2ACRACR2A
SCHEMBL9069510 0.81 DHODH (0.36) DHODHEPHX2PDE2ACRACR2A
SCHEMBL9116542 0.80 PRKDC (0.38) DHODHEPHX2PDE2ACRACR2A
SCHEMBL6182206 0.80 DHODH (0.32) DHODHEPHX2NAMPT
SCHEMBL8489364 0.80 CACNA1B (0.40) DHODHEPHX2PDE2A
SCHEMBL8492601 0.80 DHODH (0.37) DHODHEPHX2PDE2ACRACR2A
SCHEMBL8491452 0.80 DHODH (0.37) DHODHEPHX2PDE2ACRACR2A
SCHEMBL8307273 0.79 DHODH (0.31) DHODH
SCHEMBL8310666 0.79 PDE2A (0.31) DHODHPDE2A

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 8 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
EP-0636622-A1 Isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-02-01 EP disclosed