SCHEMBL8469225

SCHEMBL8469225

COc1ccc(N(C(=O)c2c3ccccc3nc3ccccc23)S(=O)(=O)c2ccc(CCC(=O)OCc3ccccc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 3/20 0.48
F2 P00734 2/20 0.48
HPGD P15428 2/20 0.48
HSP90AA1 P07900 1/20 0.46
KEAP1 Q14145 8/20 0.45
NFE2L2 Q16236 7/20 0.45
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 3/20 0.43
TSHR P16473 1/20 0.43
TP53 P04637 2/20 0.42
TAS2R14 Q9NYV8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
BMP1 P13497 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
SCHEMBL8471272 0.94 ALDH1A1 (0.46) ALDH1A1KMT2AF2HPGDHSP90AA1
SCHEMBL8469659 0.91 LMNA (0.51) ALDH1A1KMT2AKEAP1NFE2L2MAPT
Bromide SCHEMBL8471510 0.88 HSP90AA1 (0.50) ALDH1A1KMT2AF2HPGDHSP90AA1
SCHEMBL8076269 0.88 ALDH1A1 (0.42) ALDH1A1KMT2AF2HPGDHSP90AA1
SCHEMBL8470816 0.88 KEAP1 (0.42) KEAP1NFE2L2LMNAKDM4E
SCHEMBL8470105 0.84 ALDH1A1 (0.43) ALDH1A1KMT2AF2HPGDHSP90AA1
Bromide SCHEMBL8469213 0.84 HSP90AA1 (0.48) ALDH1A1KMT2AF2HPGDHSP90AA1
SCHEMBL8076560 0.83 MMP3 (0.42) ALDH1A1KMT2AF2HPGDHSP90AA1
SCHEMBL8470011 0.83 ALDH1A1 (0.44) ALDH1A1HPGDKEAP1NFE2L2MAPT
SCHEMBL8471286 0.82 LMNA (0.45) ALDH1A1KMT2AHSP90AA1KEAP1NFE2L2

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