SCHEMBL8901109

SCHEMBL8901109

CS(=O)(=O)c1c(Cl)cc(Cl)cc1Cc1ccccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.32
NR1H4 Q96RI1 3/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
PTGDR2 Q9Y5Y4 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
SCHEMBL8891669 0.86 ADRA1D (0.35) PTGDR2
SCHEMBL8889920 0.84 EPHX2 (0.36) P2RX7NR1H4PTGDR2
SCHEMBL8890050 0.84 NR1H4 (0.34) P2RX7NR1H4SLC6A2SLC6A4SLC6A3
SCHEMBL8891351 0.84 EPHX2 (0.36) P2RX7PTGDR2
SCHEMBL8890477 0.83 NR3C1 (0.38)
SCHEMBL8889540 0.83 DHODH (0.32)
SCHEMBL8890546 0.81 NR1H4 (0.35) NR1H4SLC6A2SLC6A4SLC6A3
SCHEMBL8894099 0.81 PTGS2 (0.40) P2RX7NR1H4
SCHEMBL8892962 0.80 CA1 (0.39)
SCHEMBL8891637 0.80 LMNA (0.34)

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