SCHEMBL331772

SCHEMBL331772

CCCCCCCCCCCCCCCCCC[N+](C)(C)C.CCS(=O)(=O)[O-]

nearest known ligand 0.68

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

The experimentally established mechanism targets of None. 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
DNM1 Q05193 7/20 0.68
APAF1 O14727 1/20 0.62
HSP90AA1 P07900 1/20 0.62
RAD52 P43351 1/20 0.62
BBOX1 O75936 1/20 0.58
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
APEX1 P27695 3/20 0.50
NFKB1 P19838 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ACHE P22303 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PMP22 Q01453 2/20 0.50
LMNA P02545 2/20 0.50
LSS P48449 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
TSHR P16473 1/20 0.50
RAB9A P51151 1/20 0.50
ENPP2 Q13822 3/20 0.49

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
Cetrimonium SCHEMBL331486 1.00 DNM1 (0.68) DNM1APAF1HSP90AA1RAD52BBOX1
SCHEMBL330640 1.00 DNM1 (0.68) DNM1APAF1HSP90AA1RAD52BBOX1
Sulfuric Acid SCHEMBL2004002 0.93 DNM1 (0.71) DNM1APAF1HSP90AA1RAD52BBOX1
Cetrimonium SCHEMBL716034 0.93 DNM1 (0.71) DNM1APAF1HSP90AA1RAD52BBOX1
Sulfuric Acid SCHEMBL11744107 0.93 DNM1 (0.71) DNM1APAF1HSP90AA1RAD52BBOX1
Sulfuric Acid SCHEMBL9698121 0.93 DNM1 (0.71) DNM1APAF1HSP90AA1RAD52BBOX1
Sulfuric Acid SCHEMBL721282 0.93 DNM1 (0.71) DNM1APAF1HSP90AA1RAD52BBOX1
Cetrimonium SCHEMBL2531490 0.93 DNM1 (0.71) DNM1APAF1HSP90AA1RAD52BBOX1
Sulfuric Acid SCHEMBL2978706 0.93 DNM1 (0.71) DNM1APAF1HSP90AA1RAD52BBOX1
Sulfuric Acid SCHEMBL6904675 0.93 DNM1 (0.71) DNM1APAF1HSP90AA1RAD52BBOX1

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