Mecetronium

Mecetronium

SCHEMBL330982

CCCCCCCCCCCCCCCC[N+](C)(C)CC.CCCS(=O)(=O)O

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 10/20 0.63
HTT P42858 2/20 0.63
KMT2A Q03164 1/20 0.63
HSP90AA1 P07900 2/20 0.61
RAD52 P43351 2/20 0.61
BBOX1 O75936 2/20 0.48
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
ENPP2 Q13822 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
Didecyldimethylammonium SCHEMBL330803 0.92 HTT (0.60) DNM1HTTKMT2AHSP90AA1RAD52
Mecetronium SCHEMBL331782 0.90 DNM1 (0.71) DNM1HTTKMT2AHSP90AA1RAD52
Mecetronium SCHEMBL25198199 0.88 DNM1 (0.74) DNM1HTTKMT2AHSP90AA1RAD52
Sulfuric Acid SCHEMBL19893758 0.88 DNM1 (0.74) DNM1HTTKMT2AHSP90AA1RAD52
Sulfuric Acid SCHEMBL15732263 0.88 DNM1 (0.74) DNM1HTTKMT2AHSP90AA1RAD52
Sulfuric Acid SCHEMBL19893754 0.88 DNM1 (0.74) DNM1HTTKMT2AHSP90AA1RAD52
SCHEMBL4758466 0.86 DNM1 (0.71) DNM1HTTKMT2AHSP90AA1RAD52
SCHEMBL4758492 0.86 DNM1 (0.71) DNM1HTTKMT2AHSP90AA1RAD52
Mecetronium SCHEMBL330092 0.86 DNM1 (0.71) DNM1HTTKMT2AHSP90AA1RAD52
Mecetronium SCHEMBL497259 0.85 DNM1 (0.68) DNM1HTTKMT2AHSP90AA1RAD52

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-2295484-B1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM SAME POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL MITSUI CHEMICALS INC (JP) 2018-01-17 EP disclosed
EP-2407498-B1 Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material MITSUI CHEMICALS INC (JP) 2017-11-15 EP disclosed
US-8304507-B2 Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material MITSUI CHEMICALS, INC. (JP) 2012-11-06 US disclosed
EP-2407498-A2 Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material Mitsui Chemicals, Inc. (JP) 2012-01-18 EP disclosed
US-20110112269-A1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM THE POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL MITSUI CHEMICALS, INC. (JP) 2011-05-12 US disclosed
EP-2295484-A1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM SAME POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL Mitsui Chemicals, Inc. (JP) 2011-03-16 EP disclosed