SCHEMBL4236740

SCHEMBL4236740

O=C(O)CN(c1ccc2cc(OS(=O)(=O)C(F)(F)F)ccc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
KEAP1 Q14145 15/20 0.47
NFE2L2 Q16236 15/20 0.47
PPARG P37231 1/20 0.45
DAGLB Q8NCG7 1/20 0.42
DAGLA Q9Y4D2 1/20 0.42

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
SCHEMBL12115560 0.89 PSEN1 (0.42) L3MBTL1KEAP1NFE2L2PPARG
SCHEMBL1317802 0.80 KEAP1 (0.43) L3MBTL1KEAP1NFE2L2
SCHEMBL4237417 0.79 KEAP1 (0.46) L3MBTL1KEAP1NFE2L2DAGLA
SCHEMBL1110293 0.78 PSEN1 (0.38) KEAP1NFE2L2PPARGDAGLBDAGLA
SCHEMBL4239508 0.78 KEAP1 (0.44) L3MBTL1KEAP1NFE2L2
SCHEMBL1319761 0.78 KEAP1 (0.43) L3MBTL1KEAP1NFE2L2
SCHEMBL1110442 0.77 RORC (0.45) KEAP1NFE2L2
SCHEMBL4236968 0.76 KEAP1 (0.40) L3MBTL1KEAP1NFE2L2
SCHEMBL1319419 0.76 KEAP1 (0.43) L3MBTL1KEAP1NFE2L2
SCHEMBL4236945 0.76 KEAP1 (0.46) L3MBTL1KEAP1NFE2L2DAGLA

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-2009127723-A1 NEW ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-22 WO disclosed