SCHEMBL9117003

SCHEMBL9117003

CSc1c(S(C)(=O)=O)ccc(C(=O)c2cnoc2C2CC2)c1COCC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.34
CNR2 P34972 7/20 0.32
KIT P10721 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
EPHX2 P34913 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
SCHEMBL8390806 0.84 DHODH (0.38) DHODHEPHX2
SCHEMBL8390614 0.81 PDE2A (0.33) DHODH
SCHEMBL9241032 0.80 DHODH (0.36) DHODHKITEPHX2
SCHEMBL9116510 0.79 KIT (0.39) DHODHCNR2KITEPHX2
Tembotrione SCHEMBL1986273 0.77 HPD (0.35) DHODH
SCHEMBL9115908 0.77 DHODH (0.34) DHODHKITNR1H4EPHX2
SCHEMBL9117352 0.76 DHODH (0.38) DHODHCNR2KITNR1H4EPHX2
SCHEMBL9069510 0.75 DHODH (0.36) DHODHEPHX2
SCHEMBL8391502 0.75 DHODH (0.39) DHODHEPHX2
Isoxaflutole SCHEMBL21645075 0.74 DHODH (0.48) DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995022903-A1 NEW PESTICIDAL METHOD RHONE-POULENC AGROCHIMIE (FR) 1995-08-31 WO disclosed