SCHEMBL8470816

SCHEMBL8470816

COc1ccc(N(C(=O)c2c3ccccc3nc3ccccc23)S(=O)(=O)c2ccc(CCC(=O)OCc3ccccc3)cc2)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 15/20 0.42
NFE2L2 Q16236 14/20 0.42
PIK3CG P48736 1/20 0.40
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
Bromide SCHEMBL8469666 0.89 KEAP1 (0.48) KEAP1NFE2L2LMNAL3MBTL1
SCHEMBL8076290 0.89 KEAP1 (0.40) KEAP1NFE2L2PIK3CGLMNACA12
SCHEMBL8469225 0.88 ALDH1A1 (0.48) KEAP1NFE2L2LMNAKDM4E
SCHEMBL8469817 0.86 KEAP1 (0.40) KEAP1NFE2L2PIK3CGLMNAL3MBTL1
SCHEMBL8471272 0.82 ALDH1A1 (0.46) KEAP1NFE2L2LMNA
SCHEMBL8469659 0.81 LMNA (0.51) KEAP1NFE2L2LMNAL3MBTL1KDM4E
Bromide SCHEMBL8080918 0.78 KEAP1 (0.45) KEAP1NFE2L2CA12CA1CA2
SCHEMBL8076269 0.78 ALDH1A1 (0.42) KEAP1NFE2L2LMNAKDM4E
SCHEMBL8470011 0.76 ALDH1A1 (0.44) KEAP1NFE2L2LMNAL3MBTL1KDM4E
Bromide SCHEMBL8471510 0.76 HSP90AA1 (0.50) KEAP1NFE2L2LMNA

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