SCHEMBL330995

SCHEMBL330995

CCCC[N+](CCCC)(CCCC)Cc1ccccc1.CCCS(=O)(=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 2/20 0.42
CYP1A2 P05177 1/20 0.42
RXFP1 Q9HBX9 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
CNR2 P34972 2/20 0.36

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
SCHEMBL331108 0.92 DNM1 (0.47) DNM1SMN1; SMN2MEN1KMT2ATP53
Sulfuric Acid SCHEMBL2908891 0.91 DNM1 (0.49) DNM1SMN1; SMN2MEN1KMT2ATP53
Sulfuric Acid SCHEMBL2245785 0.89 DNM1 (0.47) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL330958 0.89 DNM1 (0.47) DNM1SMN1; SMN2MEN1KMT2ATP53
Sulfuric Acid SCHEMBL2245787 0.88 DNM1 (0.46) DNM1SMN1; SMN2MEN1KMT2ATP53
Sulfuric Acid SCHEMBL17272951 0.86 DNM1 (0.45) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL330888 0.86 CYP1A2 (0.41) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL331061 0.85 DNM1 (0.44) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL28027706 0.85 DNM1 (0.44) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL6619587 0.85 DNM1 (0.44) DNM1SMN1; SMN2MEN1KMT2ATP53

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