SCHEMBL4242391

SCHEMBL4242391

N=C(NO)c1ccc2ccccc2c1N(CC(=O)O)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 18/20 0.45
NFE2L2 Q16236 18/20 0.45
S1PR1 P21453 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4238356 0.80 KEAP1 (0.54) KEAP1NFE2L2
SCHEMBL2098098 0.80 HPGD (0.32) S1PR1L3MBTL1
SCHEMBL4242197 0.80 KEAP1 (0.41) KEAP1NFE2L2S1PR1L3MBTL1
SCHEMBL1110275 0.79 KEAP1 (0.63) KEAP1NFE2L2
SCHEMBL1110375 0.79 MMP13 (0.39) S1PR1
SCHEMBL1110639 0.76 KEAP1 (0.45) KEAP1NFE2L2
SCHEMBL4236968 0.75 KEAP1 (0.40) KEAP1NFE2L2S1PR1L3MBTL1
SCHEMBL1110834 0.74 KEAP1 (0.57) KEAP1NFE2L2
SCHEMBL4240479 0.74 KEAP1 (0.39) KEAP1NFE2L2S1PR1L3MBTL1
SCHEMBL1110582 0.73 KEAP1 (0.41) KEAP1NFE2L2S1PR1

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