SCHEMBL8469304

SCHEMBL8469304

C[n+]1c2ccccc2c(C(=O)N(c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccc(CCC(=O)ON3C(=O)CCC3=O)cc2)c2ccccc21.O=S(=O)([O-])F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 10/20 0.38
KMT2A Q03164 2/20 0.36
GAA P10253 3/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
POLB P06746 2/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTT P42858 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
PKM P14618 3/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
USP2 O75604 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ATM Q13315 1/20 0.32
MEN1 O00255 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL8472099 0.88 TP53 (0.35) ALDH1A1GAAKEAP1NFE2L2MAPT
SCHEMBL8469537 0.87 ALDH1A1 (0.39) ALDH1A1KMT2AGAAPOLBKEAP1
SCHEMBL8471427 0.86 ALDH1A1 (0.42) TSHRALDH1A1KMT2AGAAPTGES
SCHEMBL8470372 0.85 TP53 (0.37) ALDH1A1GAAKEAP1NFE2L2MAPT
Trifluoromethanesulfonic Acid SCHEMBL4426555 0.82 ALDH1A1 (0.37) ALDH1A1KMT2AGAAPOLBKEAP1
SCHEMBL8469668 0.82 ALDH1A1 (0.37) ALDH1A1KMT2AGAAPOLBKEAP1
SCHEMBL8469774 0.81 LMNA (0.39) GAAKEAP1NFE2L2MAPTLMNA
SCHEMBL8469157 0.81 KEAP1 (0.36) TSHRALDH1A1KMT2AGAAKEAP1
SCHEMBL31163692 0.78 LMNA (0.40) GAAKEAP1NFE2L2MAPTLMNA
SCHEMBL8074297 0.78 TSHR (0.40) TSHRALDH1A1KMT2AGAAPTGES

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 4 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 claimed
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