SCHEMBL9350381

SCHEMBL9350381

Cc1ccc(S(=O)(=O)N(CCC(=O)O)C(=O)c2c3ccccc3[n+](CCCS(=O)(=O)O)c3ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 9/20 0.43
NFE2L2 Q16236 9/20 0.43
LMNA P02545 2/20 0.39
TAS2R14 Q9NYV8 1/20 0.36
MAPT P10636 1/20 0.36
HKDC1 Q2TB90 1/20 0.34
ALDH1A1 P00352 2/20 0.34
ALOX5 P09917 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL2331007 0.95 KEAP1 (0.43) KEAP1NFE2L2LMNATAS2R14MAPT
SCHEMBL13223614 0.93 KEAP1 (0.41) KEAP1NFE2L2LMNATAS2R14MAPT
SCHEMBL9348982 0.92 KEAP1 (0.41) KEAP1NFE2L2LMNATAS2R14MAPT
SCHEMBL6363184 0.89 KEAP1 (0.38) KEAP1NFE2L2LMNATAS2R14MAPT
SCHEMBL17268342 0.89 MEN1 (0.39) KEAP1NFE2L2LMNATAS2R14ALOX5
SCHEMBL18118852 0.89 RAB9A (0.42) KEAP1NFE2L2LMNAMAPTALDH1A1
SCHEMBL30180827 0.87 KEAP1 (0.43) KEAP1NFE2L2LMNATAS2R14MAPT
SCHEMBL17260208 0.87 KEAP1 (0.43) KEAP1NFE2L2LMNATAS2R14MAPT
SCHEMBL14400926 0.86 LMNA (0.40) KEAP1NFE2L2LMNAMAPTALDH1A1
SCHEMBL18114368 0.85 KEAP1 (0.44) KEAP1NFE2L2LMNATAS2R14KMT2A

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
EP-0273115-B1 Chemiluminescent acridinium and phenanthridinium salts ABBOTT LAB (US) 1994-09-07 EP claimed