SCHEMBL9116507

SCHEMBL9116507

CS(=O)(=O)c1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1OCCF

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.33
LRRK2 Q5S007 2/20 0.32
DHODH Q02127 2/20 0.32
P2RX7 Q99572 1/20 0.31
CYP17A1 P05093 1/20 0.30
PDE2A O00408 1/20 0.30
CRHR1 P34998 1/20 0.30
SCN2B O60939 1/20 0.30
SCN1A P35498 1/20 0.30
SCN1B Q07699 1/20 0.30
SCN5A Q14524 1/20 0.30
SCN9A Q15858 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL9115789 0.91 PTAFR (0.32) DHODHPDE2A
SCHEMBL8886577 0.89 DHODH (0.35) CNR2DHODHP2RX7SCN9A
SCHEMBL9116572 0.88 CNR2 (0.33) CNR2DHODHP2RX7PDE2ASCN9A
SCHEMBL9116275 0.87 DHODH (0.33) CNR2DHODHP2RX7
SCHEMBL8491946 0.86 DHODH (0.33) DHODHPDE2A
SCHEMBL9283783 0.86 DHODH (0.31) DHODH
SCHEMBL9116568 0.85 DHODH (0.31) DHODHSCN5ASCN9A
SCHEMBL9114683 0.82 PTGS1 (0.33) DHODH
SCHEMBL8492875 0.82 DHODH (0.35) DHODHP2RX7PDE2ASCN2BSCN1A
SCHEMBL7924451 0.82 DHODH (0.34) 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 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