SCHEMBL3904672

SCHEMBL3904672

Cc1ccc2c(C(=O)[O-])c3c(-c4ccccc4)c(C)c(S(=O)(=O)Cl)cc3[n+](C)c2c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
GFER P55789 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PTGS2 P35354 2/20 0.31
AGTR1 P30556 1/20 0.31
DHODH Q02127 2/20 0.30
MAPK8 P45983 1/20 0.30
PADI4 Q9UM07 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
SCHEMBL3898776 0.89 DHODH (0.33) ACHEKDM4EMEN1ALDH1A1HPGD
SCHEMBL3907877 0.81 TUBB4A (0.35) ACHEKDM4EMEN1ALDH1A1HPGD
SCHEMBL3896155 0.71 ACHE (0.35) ACHEKDM4EMEN1ALDH1A1HPGD
SCHEMBL3905894 0.71 ACHE (0.47) ACHEALDH1A1HPGDDHODH
SCHEMBL10517805 0.66 ACHE (0.38) ACHEMEN1KMT2A
SCHEMBL9426552 0.63 ACHE (0.43) ACHEALDH1A1HPGDAGTR1
SCHEMBL8975323 0.61 DHODH (0.40) ACHEDHODH
SCHEMBL8495949 0.59 ACHE (0.50) ACHE
SCHEMBL31163696 0.59 ACHE (0.50) ACHE
SCHEMBL8997328 0.58 ACHE (0.42) ACHE

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5284952-A Sulfonyl substituted chemiluminescent labels and their conjugates, and assays therefrom LONDON DIAGNOSTICS, INC. (US) 1994-02-08 US claimed
EP-0916658-B1 Assays utilizing improved chemiluminescent esters, thioesters and amides NICHOLS INST DIAGNOSTICS (US) 2009-03-18 EP disclosed
EP-0322926-B2 Assays utilizing improved chemiluminescent esters, thioesters and amides NICHOLS INST DIAGNOSTICS (US) 2004-03-31 EP disclosed
EP-0322926-B1 Assays utilizing improved chemiluminescent esters, thioesters and amides NICHOLS INST DIAGNOSTICS (US) 1999-08-11 EP disclosed
EP-0916658-A1 Assays utilizing improved chemiluminescent esters, thioesters and amides Nichols Institute Diagnostics (US) 1999-05-19 EP disclosed
US-5338847-A Hydrolytically stable chemiluminescent labels and their conjugates, and assays therefrom by adduct formation LONDON DIAGNOSTICS, INC. (US) 1994-08-16 US disclosed
EP-0322926-A2 Assays utilizing improved chemiluminescent esters, thioesters and amides LONDON DIAGNOSTICS, INC. (US) 1989-07-05 EP disclosed