SCHEMBL9114697

SCHEMBL9114697

C[S+]([O-])c1c(C(=O)c2cnoc2C2CC2)ccc(I)c1Br

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.33
DHODH Q02127 3/20 0.33
EPHX2 P34913 1/20 0.31

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
SCHEMBL9116441 0.87 DHODH (0.35) PDE2ADHODHEPHX2
SCHEMBL8488723 0.83 DHODH (0.35) PDE2ADHODHEPHX2
SCHEMBL8492608 0.83 PDE2A (0.33) PDE2ADHODHEPHX2
SCHEMBL9116693 0.83 PDE2A (0.33) PDE2ADHODHEPHX2
SCHEMBL8491206 0.81 STAT1 (0.33) PDE2ADHODHEPHX2
SCHEMBL8492663 0.80 PDE2A (0.38) PDE2ADHODHEPHX2
SCHEMBL8492634 0.80 DHODH (0.34) PDE2ADHODHEPHX2
SCHEMBL9116384 0.79 DHODH (0.33) PDE2ADHODH
SCHEMBL8492144 0.79 DHODH (0.34) PDE2ADHODHEPHX2
SCHEMBL9115225 0.79 DHODH (0.34) PDE2ADHODHEPHX2

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