SCHEMBL8079570

SCHEMBL8079570

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 2/20 0.30
MAPT P10636 2/20 0.30
KMT2A Q03164 2/20 0.30
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
RAD52 P43351 1/20 0.30
RAB9A P51151 1/20 0.30
THRB P10828 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8066320 0.92 TP53 (0.36) TP53SMN1; SMN2ALDH1A1NPSR1LMNA
SCHEMBL8470961 0.90 ALDH1A1 (0.33) TP53SMN1; SMN2ALDH1A1NPSR1LMNA
SCHEMBL8066369 0.88 TP53 (0.33) TP53SMN1; SMN2ALDH1A1NPSR1LMNA
SCHEMBL8066354 0.81 SMN1; SMN2 (0.37) TP53SMN1; SMN2ALDH1A1NPSR1LMNA
SCHEMBL8470367 0.81 PTGES (0.35) TP53SMN1; SMN2ALDH1A1NPSR1LMNA
SCHEMBL8471242 0.78 ALDH1A1 (0.33) TP53SMN1; SMN2ALDH1A1NPSR1LMNA
Bromide SCHEMBL8076253 0.72 ALDH1A1 (0.42) TP53SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL9407911 0.72 LMNA (0.49) TP53SMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL8469450 0.71 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1NPSR1LMNAPOLB
Bromide SCHEMBL8076530 0.71 KEAP1 (0.46) TP53ALDH1A1LMNAMAPTKMT2A

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
EP-0330050-B1 Special chemiluminescent acridine derivatives and their use in luminescence immunoassays DADE BEHRING MARBURG GMBH (DE) 2000-08-23 EP disclosed
EP-0602524-A1 Chemiluminescence marked sequences and their use in sequence testing HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-22 EP disclosed
EP-0330050-A2 Special chemiluminescent acridine derivatives and their use in luminescence immunoassays HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-30 EP disclosed