SCHEMBL8891163

SCHEMBL8891163

Cc1ccc(C(=O)c2cnoc2C2CC2)c(Cc2ccccc2[S+](C)[O-])c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
DHODH Q02127 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL8890261 0.91 DHODH (0.33) PDE2ATAS1R3TAS1R1TAS1R2DHODH
SCHEMBL8890011 0.89 PDE2A (0.31) PDE2ATAS1R3TAS1R1TAS1R2DHODH
SCHEMBL8892828 0.89 DHODH (0.32) PDE2ATAS1R3TAS1R1TAS1R2DHODH
SCHEMBL8891112 0.86 TAS1R3 (0.35) PDE2ATAS1R3TAS1R1TAS1R2DHODH
SCHEMBL8891280 0.84 CYP19A1 (0.33) PDE2ATAS1R3TAS1R1TAS1R2DHODH
SCHEMBL8889692 0.84 ALDH1A1 (0.37) PDE2ATAS1R3TAS1R1TAS1R2KDM4C
SCHEMBL8891649 0.84 SLC6A2 (0.37) DHODHKMT2AMEN1
SCHEMBL8892076 0.83 KDM4E (0.34) PDE2ATAS1R3TAS1R1TAS1R2DHODH
SCHEMBL8890367 0.83 NR3C1 (0.35) PDE2ATAS1R3TAS1R1TAS1R2KDM4C
SCHEMBL8493685 0.83 DHODH (0.36) PDE2ATAS1R3TAS1R1TAS1R2DHODH

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-1997028136-A1 BENZOYLISOXAZOLES AND 2-CYANO-1,3-DIONE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-07 WO disclosed