SCHEMBL9348982

SCHEMBL9348982

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 5/20 0.41
NFE2L2 Q16236 5/20 0.41
LMNA P02545 2/20 0.37
TAS2R14 Q9NYV8 1/20 0.36
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
CNR2 P34972 3/20 0.33
C5AR1 P21730 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 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
SCHEMBL17268342 0.95 MEN1 (0.39) KEAP1NFE2L2LMNATAS2R14CNR2
SCHEMBL2331007 0.93 KEAP1 (0.43) KEAP1NFE2L2LMNATAS2R14GAA
SCHEMBL6363184 0.93 KEAP1 (0.38) KEAP1NFE2L2LMNATAS2R14GAA
SCHEMBL9350381 0.92 KEAP1 (0.43) KEAP1NFE2L2LMNATAS2R14ALDH1A1
SCHEMBL13223614 0.91 KEAP1 (0.41) KEAP1NFE2L2LMNATAS2R14ALDH1A1
SCHEMBL14400926 0.87 LMNA (0.40) KEAP1NFE2L2LMNAALDH1A1POLB
SCHEMBL19627075 0.87 ALDH1A1 (0.42) KEAP1NFE2L2GAAKDM4EALDH1A1
SCHEMBL18118867 0.87 LMNA (0.34) KEAP1NFE2L2LMNAGAAALDH1A1
SCHEMBL13926065 0.85 KEAP1 (0.33) KEAP1NFE2L2LMNAALDH1A1POLB
SCHEMBL18118858 0.85 RAB9A (0.40) LMNAALDH1A1POLBMAPTHTT

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