SCHEMBL3907883

SCHEMBL3907883

Cc1cc(Br)cc(C)c1OC(=O)c1c2ccccc2[n+](C)c2ccccc12.O=S(=O)([O-])F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.35
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 2/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TTR P02766 1/20 0.32
POLB P06746 1/20 0.32
TERT O14746 1/20 0.31
THRB P10828 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL3907421 0.88 L3MBTL1 (0.36) ACHEMAPTKDM4EMEN1KMT2A
SCHEMBL3899292 0.87 ACHE (0.34) ACHEMAPTKDM4EHTTTP53
SCHEMBL3904725 0.86 ALOX5 (0.36) ACHEMAPTKDM4EMAPK1KMT2A
Trifluoromethanesulfonic Acid SCHEMBL38663634 0.83 TERT (0.35) ACHEMAPTKDM4EHTTTP53
Trifluoromethanesulfonic Acid SCHEMBL38664715 0.81 KCNH2 (0.34) ACHEMAPTMAPK1TTR
Trifluoromethanesulfonic Acid SCHEMBL38661998 0.81 ACHE (0.36) ACHEMAPTKDM4EKMT2APKM
Trifluoromethanesulfonic Acid SCHEMBL6256435 0.81 KCNH2 (0.39) ACHEMEN1KMT2ASMN1; SMN2
Trifluoromethanesulfonic Acid SCHEMBL7046743 0.79 MEN1 (0.33) MAPTKDM4EMAPK1MEN1KMT2A
SCHEMBL118743 0.79 MAPT (0.41) ACHEMAPTKDM4ESMN1; SMN2HSD17B10
SCHEMBL29380978 0.79 MAPT (0.41) ACHEMAPTKDM4ESMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-5284951-A Aryl ester, thioester or amide of carboxylic acid substituted heterocyclic ring; quaternary compounds LONDON DIAGNOSTICS, INC. (US) 1994-02-08 US disclosed
WO-1989006231-A1 ASSAYS UTILIZING IMPROVED CHEMILUMINESCENT ESTERS, THIOESTERS AND AMIDES LONDON DIAGNOSTICS, INC. (US) 1989-07-13 WO disclosed