SCHEMBL9114201

SCHEMBL9114201

O=C(c1cnoc1C1CC1)c1ccc(F)c(F)c1C[S+]([O-])c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.33
NR1H4 Q96RI1 5/20 0.33
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
EPHX2 P34913 1/20 0.31
NAMPT P43490 1/20 0.30
PDE2A O00408 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
SCHEMBL9115628 0.89 DHODH (0.35) DHODHNR1H4TAS1R3TAS1R1TAS1R2
SCHEMBL9116300 0.82 DHODH (0.33) DHODHNR1H4TAS1R3TAS1R1TAS1R2
SCHEMBL27298864 0.81 DHODH (0.32) DHODHTAS1R3TAS1R1TAS1R2EPHX2
SCHEMBL7573455 0.78 DHODH (0.34) DHODHNR1H4TAS1R3TAS1R1TAS1R2
SCHEMBL8891005 0.77 PLA2G2A (0.36) DHODHNR1H4TAS1R3TAS1R1TAS1R2
SCHEMBL27293235 0.76 DHODH (0.35) DHODHEPHX2NAMPTPDE2A
SCHEMBL8748147 0.76 DHODH (0.33) DHODHNR1H4PDE2A
SCHEMBL7575001 0.75 DHODH (0.35) DHODHTAS1R3TAS1R1TAS1R2EPHX2
SCHEMBL27285278 0.74 DHODH (0.35) DHODHEPHX2NAMPTPDE2A
SCHEMBL9114196 0.73 DHODH (0.33) DHODHTAS1R3TAS1R1TAS1R2

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-1995022904-A1 PESTICIDAL METHOD RHONE POULENC AGROCHIMIE (FR) 1995-08-31 WO disclosed