SCHEMBL8747824

SCHEMBL8747824

CN(Cc1c(Cl)ccc(C(=O)c2cnoc2C2CC2)c1S(C)(=O)=O)S(C)(=O)=O

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.31
GAA P10253 1/20 0.31
PDE2A O00408 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
DHODH Q02127 2/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 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
SCHEMBL8747751 0.87 NR1H4 (0.31) NR1H4GAAPDE2A
SCHEMBL8747759 0.86 NR1H4 (0.33) NR1H4GAAPDE2ADHODH
SCHEMBL8492877 0.85 NR1H4 (0.33) NR1H4DHODH
SCHEMBL27456386 0.85 GAA (0.33) NR1H4GAAPDE2A
SCHEMBL7924451 0.83 DHODH (0.34) GAAPDE2AMEN1KMT2ADHODH
SCHEMBL8748151 0.83 F2 (0.34) GAAPDE2ADHODHKEAP1NFE2L2
SCHEMBL9115094 0.82 DHODH (0.34) GAAPDE2AMEN1KMT2ADHODH
SCHEMBL8488330 0.82 PDE2A (0.36) PDE2AMEN1MAPTKMT2ADHODH
SCHEMBL9116308 0.81 DHODH (0.33) PDE2AMEN1KMT2ADHODH
SCHEMBL8492875 0.81 DHODH (0.35) PDE2AMEN1KMT2ADHODH

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1148385-A 4-benzoylisoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1997-04-23 CN claimed
CN-1148385-A 4-benzoylisoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1997-04-23 CN disclosed
EP-0759911-A1 4-BENZOYLISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LTD. (GB) 1997-03-05 EP disclosed
WO-1995031446-A1 4-BENZOYLISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LTD. (GB) 1995-11-23 WO disclosed