Benzododecinium

Benzododecinium

SCHEMBL330727

CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.CCCS(=O)(=O)O

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.72
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
MAPK1 P28482 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
TP53 P04637 1/20 0.70
HTT P42858 3/20 0.68
PSMD14 O00487 1/20 0.51
HSP90AA1 P07900 1/20 0.51
MMP2 P08253 1/20 0.51
MC4R P32245 1/20 0.51
RAD52 P43351 1/20 0.51
MLNR O43193 1/20 0.43
NR1I2 O75469 1/20 0.43
ESR1 P03372 1/20 0.43
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
ADRB2 P07550 1/20 0.43
CHRM2 P08172 1/20 0.43
ADRB1 P08588 1/20 0.43

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
SCHEMBL331924 1.00 DNM1 (0.72) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL330773 1.00 DNM1 (0.72) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Cetalkonium SCHEMBL27985034 0.99 DNM1 (0.70) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL330484 0.93 DNM1 (0.79) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL330708 0.93 DNM1 (0.79) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Benzododecinium SCHEMBL330694 0.93 DNM1 (0.79) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Cetalkonium SCHEMBL28234878 0.93 DNM1 (0.62) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Benzododecinium SCHEMBL28893542 0.91 DNM1 (0.81) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Cetalkonium SCHEMBL16163551 0.91 DNM1 (0.81) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Sulfuric Acid SCHEMBL5457901 0.91 DNM1 (0.81) DNM1MEN1KMT2AMAPK1SMN1; SMN2

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 10 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
CN-102977309-B Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material MITSU CHEMICALS INC 2015-04-15 CN disclosed
CN-102066450-B Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material MITSUI CHEMICALS INC 2013-11-06 CN disclosed
CN-102977309-A Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material MITSUI CHEMICALS INC 2013-03-20 CN 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
CN-102066450-A Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material MITSUI CHEMICALS INC 2011-05-18 CN 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