SCHEMBL8079548

SCHEMBL8079548

COc1ccc(N(C(=O)Oc2c3ccccc3nc3ccccc23)S(=O)(=O)c2ccc(CCCCC(=O)ON3C(=O)CCC3=O)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
MMP3 P08254 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 3/20 0.37
GAA P10253 3/20 0.37
MAPT P10636 2/20 0.37
KEAP1 Q14145 3/20 0.37
NFE2L2 Q16236 2/20 0.37
HSP90AA1 P07900 1/20 0.37
F2 P00734 1/20 0.36
HPGD P15428 1/20 0.36
BMP1 P13497 1/20 0.36
C1R P00736 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL8074300 0.95 ALDH1A1 (0.40) ALDH1A1LMNATSHRHSD17B10KMT2A
SCHEMBL8470438 0.90 ALDH1A1 (0.42) ALDH1A1LMNATSHRMMP3HSD17B10
SCHEMBL8079566 0.87 LMNA (0.37) ALDH1A1LMNAGAAMAPTHPGD
Bromide SCHEMBL8076287 0.86 KEAP1 (0.43) ALDH1A1LMNATSHRMMP3KMT2A
SCHEMBL8076560 0.86 MMP3 (0.42) ALDH1A1LMNATSHRMMP3KMT2A
SCHEMBL9407899 0.84 ALDH1A1 (0.43) ALDH1A1LMNATSHRKMT2AGAA
SCHEMBL9407932 0.84 LMNA (0.35) ALDH1A1LMNAGAAMAPTHPGD
SCHEMBL8066342 0.84 ALDH1A1 (0.38) ALDH1A1LMNATSHRKMT2AGAA
SCHEMBL8470105 0.84 ALDH1A1 (0.43) ALDH1A1LMNATSHRHSD17B10KMT2A
SCHEMBL9407920 0.84 CXCR3 (0.34) LMNAMMP3MAPTHSP90AA1KDM4E

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 2 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-0330050-A2 Special chemiluminescent acridine derivatives and their use in luminescence immunoassays HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-30 EP disclosed