SCHEMBL8150640

SCHEMBL8150640

C[S+](C)CC(=O)c1ccccc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 3/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP3A4 P08684 2/20 0.45
ALOX15 P16050 1/20 0.45
CES1 P23141 1/20 0.45
ALDH1A1 P00352 6/20 0.42
GSK3B P49841 3/20 0.42
PTPN1 P18031 3/20 0.42
HIF1A Q16665 2/20 0.42
TRPA1 O75762 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 3/20 0.41

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
SCHEMBL686321 0.89 KMT2A (0.56) MAPTKMT2ASMN1; SMN2HPGDMAPK1
Hydrochloric Acid SCHEMBL60929 0.87 KMT2A (0.54) MAPTKMT2ASMN1; SMN2HPGDMAPK1
Bromide SCHEMBL394250 0.87 KMT2A (0.54) MAPTKMT2ASMN1; SMN2HPGDMAPK1
SCHEMBL394058 0.85 MAPT (0.48) MAPTKMT2ASMN1; SMN2HPGDMAPK1
SCHEMBL8756107 0.85 KMT2A (0.42) MAPTKMT2ASMN1; SMN2HPGDMAPK1
SCHEMBL8757228 0.83 MAPT (0.40) MAPTKMT2ASMN1; SMN2HPGDMAPK1
SCHEMBL8757149 0.82 SMN1; SMN2 (0.39) MAPTKMT2ASMN1; SMN2HPGDMAPK1
SCHEMBL8757187 0.82 TDP1 (0.39) MAPTKMT2ASMN1; SMN2HPGDMAPK1
SCHEMBL8757418 0.82 MAPT (0.39) MAPTKMT2ASMN1; SMN2HPGDMAPK1
Dimethylamine SCHEMBL6289518 0.81 KMT2A (0.54) MAPTKMT2ASMN1; SMN2HPGDMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2000344812-A POLYMERIZABLE COMPOSITION TOYO INK MFG CO LTD 2000-12-12 JP disclosed
EP-0555058-B1 (Oxo)sulfonium complex, polymerizable composition containing the complex, and method of polymerizing composition TOYO INK MFG CO (JP) 1997-05-07 EP disclosed
US-5500453-A INITIATOR FOR PHOTOSENSITIVE FREE RADICAL CURING/ POLYMERIZATION OF UNSATURATED COMPOUNDS TOYO INK MANUFACTURING CO., LTD. (JP) 1996-03-19 US disclosed
EP-0555058-A1 (Oxo)sulfonium complex, polymerizable composition containing the complex, and method of polymerizing composition TOYO INK MANUFACTURING CO., LTD. (JP) 1993-08-11 EP disclosed