SCHEMBL8469157

SCHEMBL8469157

COc1ccc(N(C(=O)c2c3ccccc3[n+](C)c3ccccc23)S(=O)(=O)c2ccc(CCC(=O)ON3C(=O)CCC3=O)cc2)c(OC)c1.O=S(=O)([O-])F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 9/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NFE2L2 Q16236 8/20 0.34
HPGD P15428 2/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 4/20 0.33
MAPT P10636 4/20 0.33
MEN1 O00255 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PIK3CG P48736 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL8469537 0.89 ALDH1A1 (0.39) KEAP1ALDH1A1LMNANFE2L2HPGD
SCHEMBL8469817 0.87 KEAP1 (0.40) KEAP1ALDH1A1LMNAL3MBTL1NFE2L2
Trifluoromethanesulfonic Acid SCHEMBL4426555 0.84 ALDH1A1 (0.37) KEAP1ALDH1A1LMNAHPGDKMT2A
SCHEMBL8469668 0.84 ALDH1A1 (0.37) KEAP1ALDH1A1LMNANFE2L2HPGD
SCHEMBL8472099 0.83 TP53 (0.35) KEAP1ALDH1A1LMNANFE2L2MAPT
SCHEMBL8469304 0.81 TSHR (0.39) KEAP1ALDH1A1LMNAL3MBTL1NFE2L2
SCHEMBL8470372 0.80 TP53 (0.37) KEAP1ALDH1A1LMNANFE2L2MAPT
SCHEMBL8066342 0.79 ALDH1A1 (0.38) KEAP1ALDH1A1LMNANFE2L2HPGD
SCHEMBL374354 0.79 KMT2A (0.33) ALDH1A1LMNAHPGDKMT2AMAPT
SCHEMBL8469774 0.76 LMNA (0.39) KEAP1LMNANFE2L2MAPTKDM4E

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 4 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 claimed
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