SCHEMBL8470438

SCHEMBL8470438

COc1ccc(N(C(=O)c2c3ccccc3nc3ccccc23)S(=O)(=O)c2ccc(CCCCC(=O)ON3C(=O)CCC3=O)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HSP90AA1 P07900 1/20 0.41
F2 P00734 2/20 0.41
HPGD P15428 2/20 0.41
KEAP1 Q14145 4/20 0.39
NFE2L2 Q16236 3/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
MMP3 P08254 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.38
TP53 P04637 2/20 0.38
BMP1 P13497 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
SCHEMBL8470105 0.95 ALDH1A1 (0.43) ALDH1A1KMT2AGAAMAPTHSP90AA1
SCHEMBL8079548 0.90 ALDH1A1 (0.38) ALDH1A1KMT2AGAAMAPTHSP90AA1
SCHEMBL8469668 0.87 ALDH1A1 (0.37) ALDH1A1KMT2AGAAMAPTHSP90AA1
SCHEMBL8469910 0.87 LMNA (0.38) ALDH1A1GAAMAPTHSP90AA1KEAP1
Bromide SCHEMBL8469213 0.85 HSP90AA1 (0.48) ALDH1A1KMT2AGAAMAPTHSP90AA1
SCHEMBL8471272 0.85 ALDH1A1 (0.46) ALDH1A1KMT2AGAAMAPTHSP90AA1
SCHEMBL8074300 0.84 ALDH1A1 (0.40) ALDH1A1KMT2AGAAMAPTHSP90AA1
SCHEMBL8469817 0.84 KEAP1 (0.40) ALDH1A1KMT2AMAPTHPGDKEAP1
SCHEMBL8469903 0.82 LMNA (0.40) ALDH1A1GAAMAPTHSP90AA1HPGD
SCHEMBL8469537 0.81 ALDH1A1 (0.39) ALDH1A1KMT2AGAAMAPTHSP90AA1

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