SCHEMBL8076290

SCHEMBL8076290

COc1ccc(N(C(=O)Oc2c3ccccc3nc3ccccc23)S(=O)(=O)c2ccc(CCC(=O)OCc3ccccc3)cc2)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 11/20 0.40
NFE2L2 Q16236 10/20 0.40
TOP2A P11388 3/20 0.39
TOP2B Q02880 3/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
PIK3CG P48736 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.37

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 SCHEMBL8080918 0.90 KEAP1 (0.45) KEAP1NFE2L2CA12CA1CA2
SCHEMBL8470816 0.89 KEAP1 (0.42) KEAP1NFE2L2CA12CA1CA2
SCHEMBL8076269 0.88 ALDH1A1 (0.42) KEAP1NFE2L2TOP2ATOP2BKDM4E
SCHEMBL8066342 0.86 ALDH1A1 (0.38) KEAP1NFE2L2CA12CA1CA2
SCHEMBL8076560 0.83 MMP3 (0.42) KEAP1NFE2L2TOP2ATOP2BLMNA
SCHEMBL9407911 0.81 LMNA (0.49) KEAP1NFE2L2TOP2ATOP2BKDM4E
SCHEMBL9407919 0.81 LMNA (0.43) TOP2ATOP2BKDM4ELMNATP53
Bromide SCHEMBL8469666 0.78 KEAP1 (0.48) KEAP1NFE2L2LMNA
SCHEMBL8469225 0.78 ALDH1A1 (0.48) KEAP1NFE2L2KDM4ELMNATP53
Bromide SCHEMBL8076530 0.77 KEAP1 (0.46) KEAP1NFE2L2LMNATP53

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
EP-0330050-B1 Special chemiluminescent acridine derivatives and their use in luminescence immunoassays DADE BEHRING MARBURG GMBH (DE) 2000-08-23 EP disclosed
EP-0602524-A1 Chemiluminescence marked sequences and their use in sequence testing HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-22 EP disclosed
EP-0330050-A2 Special chemiluminescent acridine derivatives and their use in luminescence immunoassays HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-30 EP disclosed