SCHEMBL8076250

SCHEMBL8076250

O=C(CCc1ccc(S(=O)(=O)N(C(=O)Oc2c3ccccc3nc3ccccc23)c2ccc3c(c2)OCCO3)cc1)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
GAA P10253 1/20 0.41
ALDH1A1 P00352 6/20 0.41
EDNRA P25101 3/20 0.40
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HTT P42858 2/20 0.38
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
TP53 P04637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36

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
Bromide SCHEMBL8066341 0.90 ALDH1A1 (0.46) TSHRGAAALDH1A1PTGESALOX5
SCHEMBL8470011 0.89 ALDH1A1 (0.44) TSHRGAAALDH1A1EDNRAPTGES
SCHEMBL8074297 0.87 TSHR (0.40) TSHRGAAALDH1A1PTGESALOX5
SCHEMBL9407911 0.85 LMNA (0.49) GAAALDH1A1LMNASMN1; SMN2KEAP1
SCHEMBL8076269 0.83 ALDH1A1 (0.42) TSHRGAAALDH1A1PTGESLMNA
SCHEMBL8592383 0.78 ALDH1A1 (0.43) TSHRGAAALDH1A1EDNRAPTGES
SCHEMBL8076560 0.78 MMP3 (0.42) TSHRALDH1A1PTGESLMNAKEAP1
SCHEMBL9407919 0.78 LMNA (0.43) GAAALDH1A1LMNASMN1; SMN2NPSR1
Bromide SCHEMBL8469737 0.77 ALDH1A1 (0.50) TSHRGAAALDH1A1PTGESALOX5
SCHEMBL8076290 0.77 KEAP1 (0.40) LMNAKEAP1NFE2L2TP53KDM4E

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