SCHEMBL8469817

SCHEMBL8469817

COc1ccc(N(C(=O)c2c3ccccc3nc3ccccc23)S(=O)(=O)c2ccc(CCC(=O)ON3C(=O)CCC3=O)cc2)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 8/20 0.40
PIK3CG P48736 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NFE2L2 Q16236 7/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL8066342 0.90 ALDH1A1 (0.38) KEAP1PIK3CGALDH1A1NFE2L2POLB
SCHEMBL8470105 0.89 ALDH1A1 (0.43) KEAP1PIK3CGALDH1A1NFE2L2POLB
SCHEMBL8469157 0.87 KEAP1 (0.36) KEAP1PIK3CGALDH1A1NFE2L2L3MBTL1
Bromide SCHEMBL8469666 0.86 KEAP1 (0.48) KEAP1ALDH1A1NFE2L2L3MBTL1LMNA
SCHEMBL8470816 0.86 KEAP1 (0.42) KEAP1PIK3CGNFE2L2L3MBTL1CA12
SCHEMBL8470438 0.84 ALDH1A1 (0.42) KEAP1ALDH1A1NFE2L2POLBMAPT
SCHEMBL8469910 0.82 LMNA (0.38) KEAP1ALDH1A1NFE2L2MAPTCA12
SCHEMBL8074300 0.80 ALDH1A1 (0.40) KEAP1PIK3CGALDH1A1NFE2L2MAPT
SCHEMBL8471427 0.79 ALDH1A1 (0.42) KEAP1ALDH1A1NFE2L2L3MBTL1POLB
SCHEMBL8469537 0.76 ALDH1A1 (0.39) KEAP1ALDH1A1NFE2L2POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6002007-A Special chemiluminescent acridine derivatives and the use thereof in luminescence immunoassays DADE BEHRING MARBURG GMBH (DE) 1999-12-14 US disclosed
US-5879953-A Special chemiluminescent acridine derivatives and the use thereof in luminescence immunoassays HOECHST AKTIENGESELLSCHAFT (DE) 1999-03-09 US disclosed
US-5783696-A Special chemiluminescent acridine derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-21 US disclosed