SCHEMBL9116441

SCHEMBL9116441

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

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.35
PDE2A O00408 1/20 0.33
EPHX2 P34913 2/20 0.33
CRACR2A Q9BSW2 2/20 0.32

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
SCHEMBL9114697 0.87 PDE2A (0.33) DHODHPDE2AEPHX2
SCHEMBL8488723 0.87 DHODH (0.35) DHODHPDE2AEPHX2CRACR2A
SCHEMBL9238950 0.87 DHODH (0.35) DHODHPDE2AEPHX2CRACR2A
SCHEMBL8590043 0.85 DHODH (0.34) DHODHPDE2AEPHX2CRACR2A
SCHEMBL8492608 0.83 PDE2A (0.33) DHODHPDE2AEPHX2
SCHEMBL8491585 0.83 DHODH (0.35) DHODHPDE2AEPHX2CRACR2A
SCHEMBL8491206 0.81 STAT1 (0.33) DHODHPDE2AEPHX2
SCHEMBL8492663 0.80 PDE2A (0.38) DHODHPDE2AEPHX2CRACR2A
SCHEMBL8492634 0.80 DHODH (0.34) DHODHPDE2AEPHX2
SCHEMBL9113796 0.80 DHODH (0.32) DHODHPDE2AEPHX2

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