SCHEMBL9116572

SCHEMBL9116572

CS(=O)(=O)c1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1OCC(F)F

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.33
BDKRB1 P46663 5/20 0.32
SCN9A Q15858 2/20 0.32
P2RX7 Q99572 1/20 0.32
DHODH Q02127 2/20 0.32
HCRTR2 O43614 1/20 0.31
PDE2A O00408 1/20 0.31
EPHX2 P34913 1/20 0.31
NR1H4 Q96RI1 1/20 0.30
NAMPT P43490 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
SCHEMBL6559424 0.89 CNR2 (0.33) CNR2DHODHHCRTR2PDE2AEPHX2
SCHEMBL9116507 0.88 CNR2 (0.33) CNR2SCN9AP2RX7DHODHPDE2A
SCHEMBL8886577 0.88 DHODH (0.35) CNR2SCN9AP2RX7DHODH
SCHEMBL9115789 0.87 PTAFR (0.32) DHODHPDE2A
SCHEMBL9116275 0.86 DHODH (0.33) CNR2P2RX7DHODHEPHX2
SCHEMBL8491946 0.85 DHODH (0.33) DHODHPDE2ANR1H4
SCHEMBL9283783 0.85 DHODH (0.31) DHODH
SCHEMBL9116568 0.85 DHODH (0.31) SCN9ADHODHNR1H4
SCHEMBL9114683 0.81 PTGS1 (0.33) DHODH
SCHEMBL8492875 0.81 DHODH (0.35) SCN9AP2RX7DHODHPDE2AEPHX2

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