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Mecetronium

Mecetronium

SCHEMBL330416

CCCCCCCCCCCCCCCC[N+](C)(C)CC.O=S(=O)([O-])c1ccccc1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of Mecetronium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 5/20 0.52
▸ DNM1 Q05193 4/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ MAPK1 P28482 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ HSP90AA1 P07900 1/20 0.50
▸ RAD52 P43351 1/20 0.50
▸ KCNH2 Q12809 2/20 0.47
▸ NR1I2 O75469 2/20 0.47
▸ MLNR O43193 1/20 0.47
▸ ESR1 P03372 1/20 0.47
▸ NR3C1 P04150 1/20 0.47
▸ PGR P06401 1/20 0.47
▸ ADRB2 P07550 1/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ ADRB1 P08588 1/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ ADRA2A P08913 1/20 0.47

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 SCHEMBL330721 0.94 DNM1 (0.54) HTTDNM1KMT2AMAPK1MEN1
SCHEMBL331992 0.94 DNM1 (0.54) HTTDNM1KMT2AMAPK1MEN1
SCHEMBL331150 0.89 DNM1 (0.50) HTTDNM1KMT2AMAPK1MEN1
Cetrimonium SCHEMBL331884 0.89 DNM1 (0.50) HTTDNM1KMT2AMAPK1MEN1
SCHEMBL331099 0.89 DNM1 (0.50) HTTDNM1KMT2AMAPK1MEN1
SCHEMBL4758094 0.88 HTT (0.58) HTTDNM1KMT2AMAPK1MEN1
SCHEMBL4757134 0.88 HTT (0.58) HTTDNM1KMT2AMAPK1MEN1
Mecetronium SCHEMBL331122 0.88 HTT (0.58) HTTDNM1KMT2AMAPK1MEN1
SCHEMBL30413530 0.88 HTT (0.58) HTTDNM1KMT2AMAPK1MEN1
SCHEMBL330813 0.88 NR1I2 (0.47) HTTDNM1KMT2AMAPK1MEN1

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