SCHEMBL7471994

SCHEMBL7471994

COc1ccc(N(C(=O)Oc2c3ccccc3nc3ccccc23)S(=O)(=O)c2ccc(C(=O)OCc3ccccc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 4/20 0.47
NFE2L2 Q16236 4/20 0.47
MAPT P10636 5/20 0.45
HSP90AA1 P07900 2/20 0.45
ALDH1A1 P00352 5/20 0.44
HPGD P15428 3/20 0.44
KMT2A Q03164 3/20 0.44
F2 P00734 2/20 0.44
LMNA P02545 3/20 0.44
TSHR P16473 1/20 0.44
CXCR3 P49682 2/20 0.43
TAS2R14 Q9NYV8 2/20 0.43
PTGES O14684 1/20 0.43
TAS2R8 Q9NYW2 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
TOP2A P11388 1/20 0.41
TOP2B Q02880 1/20 0.41

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
SCHEMBL7458558 0.92 MAPT (0.45) MAPTALDH1A1HPGDKMT2ALMNA
SCHEMBL8076562 0.91 MAPT (0.52) KEAP1NFE2L2MAPTHSP90AA1ALDH1A1
SCHEMBL7470894 0.91 KMT2A (0.44) KEAP1NFE2L2MAPTHSP90AA1ALDH1A1
SCHEMBL8076269 0.87 ALDH1A1 (0.42) KEAP1NFE2L2MAPTHSP90AA1ALDH1A1
Bromide SCHEMBL7459708 0.86 HSP90AA1 (0.50) MAPTHSP90AA1ALDH1A1HPGDKMT2A
SCHEMBL8076560 0.85 MMP3 (0.42) KEAP1NFE2L2HSP90AA1ALDH1A1HPGD
Bromide SCHEMBL8076530 0.82 KEAP1 (0.46) KEAP1NFE2L2MAPTHSP90AA1ALDH1A1
SCHEMBL9407899 0.82 ALDH1A1 (0.43) KEAP1NFE2L2MAPTHSP90AA1ALDH1A1
Bromide SCHEMBL8076287 0.80 KEAP1 (0.43) KEAP1NFE2L2MAPTHSP90AA1ALDH1A1
SCHEMBL8080887 0.80 LMNA (0.44) KEAP1NFE2L2MAPTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647628-B1 Acridinium derivatives and their use in luminescence immunoassays DADE BEHRING MARBURG GMBH (DE) 2002-09-11 EP disclosed
EP-0257541-B1 Chemilumuniscent acridine derivatives and their use in luminescence immunoassays HOECHST AG (DE) 1996-01-03 EP disclosed
EP-0647628-A1 Acridmium derivatives and their use in luminescence immunoassays HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-12 EP disclosed
EP-0602524-A1 Chemiluminescence marked sequences and their use in sequence testing HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-22 EP disclosed
EP-0257541-A2 Chemilumuniscent acridine derivatives and their use in luminescence immunoassays HOECHST AKTIENGESELLSCHAFT (DE) 1988-03-02 EP disclosed