SCHEMBL8066320

SCHEMBL8066320

CCO[N+]1(c2ccc(N(C(=O)Oc3c4ccccc4nc4ccccc34)S(=O)(=O)c3ccc(CCC(=O)O)cc3)cc2)CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
LMNA P02545 4/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 4/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 1/20 0.33
RAD52 P43351 1/20 0.33
KEAP1 Q14145 2/20 0.32
NFE2L2 Q16236 2/20 0.32
TDP1 Q9NUW8 2/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL8079570 0.92 TP53 (0.34) TP53SMN1; SMN2LMNAGAAMAPT
SCHEMBL8470367 0.89 PTGES (0.35) TP53SMN1; SMN2PTGESALOX5LMNA
SCHEMBL8066369 0.89 TP53 (0.33) TP53SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL8470961 0.81 ALDH1A1 (0.33) TP53SMN1; SMN2LMNAGAAMAPT
Bromide SCHEMBL8076253 0.81 ALDH1A1 (0.42) TP53SMN1; SMN2PTGESALOX5LMNA
Bromide SCHEMBL8076530 0.79 KEAP1 (0.46) TP53PTGESALOX5LMNAGAA
SCHEMBL8471242 0.79 ALDH1A1 (0.33) TP53SMN1; SMN2LMNAGAAMAPT
Bromide SCHEMBL8066341 0.77 ALDH1A1 (0.46) TP53SMN1; SMN2PTGESALOX5LMNA
Bromide SCHEMBL8076287 0.74 KEAP1 (0.43) TP53LMNAGAAMAPTKMT2A
SCHEMBL9407911 0.72 LMNA (0.49) TP53SMN1; SMN2LMNAGAAMAPT

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