SCHEMBL331109

SCHEMBL331109

CCCC[N+](CCCC)(CCCC)Cc1ccccc1.CCS(=O)(=O)O

nearest known ligand 0.47

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 13)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 2/20 0.45
CYP1A2 P05177 1/20 0.44
CNR2 P34972 2/20 0.42
HPGD P15428 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
SIGMAR1 Q99720 1/20 0.38

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
Sulfuric Acid SCHEMBL2908888 0.95 DNM1 (0.49) DNM1MEN1KMT2ASMN1; SMN2TP53
Sulfuric Acid SCHEMBL28027708 0.95 DNM1 (0.49) DNM1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL330959 0.93 CYP1A2 (0.48) DNM1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL330996 0.92 DNM1 (0.44) DNM1MEN1KMT2ASMN1; SMN2TP53
Sulfuric Acid SCHEMBL2245787 0.92 DNM1 (0.46) DNM1MEN1KMT2ASMN1; SMN2TP53
Sulfuric Acid SCHEMBL17272951 0.90 DNM1 (0.45) DNM1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL331062 0.89 SMN1; SMN2 (0.48) DNM1MEN1KMT2ASMN1; SMN2TP53
Sulfuric Acid SCHEMBL11812340 0.89 DNM1 (0.58) DNM1MEN1KMT2ASMN1; SMN2TP53
Sulfuric Acid SCHEMBL2908891 0.88 DNM1 (0.49) DNM1MEN1KMT2ASMN1; SMN2TP53
Bicarbonate SCHEMBL28308089 0.88 DNM1 (0.51) DNM1MEN1KMT2ASMN1; SMN2TP53

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