SCHEMBL3907421

SCHEMBL3907421

Cc1cccc(C)c1OC(=O)c1c2ccccc2[n+](C)c2ccccc12.O=S(=O)([O-])F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ACHE P22303 8/20 0.35
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
CFTR P13569 2/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TERT O14746 1/20 0.31
MAPT P10636 1/20 0.31

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
Trifluoromethanesulfonic Acid SCHEMBL6256435 0.92 KCNH2 (0.39) L3MBTL1SMN1; SMN2ACHEKMT2AMEN1
SCHEMBL6254465 0.91 L3MBTL1 (0.42) L3MBTL1SMN1; SMN2ACHEKMT2AMEN1
SCHEMBL38662476 0.89 SMN1; SMN2 (0.36) L3MBTL1SMN1; SMN2ACHEKMT2AMEN1
SCHEMBL3907883 0.88 ACHE (0.35) SMN1; SMN2ACHEKMT2AMEN1GAA
SCHEMBL3899292 0.86 ACHE (0.34) ACHEGAAKDM4EHSD17B10TERT
SCHEMBL3902038 0.85 ESR1 (0.36) L3MBTL1ACHEKMT2AMEN1ESR1
SCHEMBL3904725 0.85 ALOX5 (0.36) L3MBTL1SMN1; SMN2ACHEKMT2ALMNA
SCHEMBL3898772 0.84 ACHE (0.32) ACHE
Trifluoromethanesulfonic Acid SCHEMBL38661855 0.84 KCNH2 (0.36) ACHE
Trifluoromethanesulfonic Acid SCHEMBL38663807 0.84 ACHE (0.38) ACHEKMT2AMEN1ESR1ESR2

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
EP-0916658-B1 Assays utilizing improved chemiluminescent esters, thioesters and amides NICHOLS INST DIAGNOSTICS (US) 2009-03-18 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
WO-1989006231-A1 ASSAYS UTILIZING IMPROVED CHEMILUMINESCENT ESTERS, THIOESTERS AND AMIDES LONDON DIAGNOSTICS, INC. (US) 1989-07-13 WO disclosed