SCHEMBL9460822

SCHEMBL9460822

CC(=O)OCC[N+](C)(C)Cc1ccc(C[N+](C)(C)CCOC(C)=O)cc1.O=[N+]([O-])c1cccc(S(=O)(=O)[O-])c1.O=[N+]([O-])c1cccc(S(=O)(=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 3/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA2 P00918 2/20 0.40
MEN1 O00255 2/20 0.40
MMP1 P03956 2/20 0.40
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
MMP8 P22894 2/20 0.40
MMP13 P45452 2/20 0.40
CA1 P00915 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA5A P35218 1/20 0.40
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39

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
SCHEMBL9461042 0.88 MAPT (0.52) MAPTMAPK1SMN1; SMN2KMT2AGAA
SCHEMBL9482305 0.86 MAPT (0.52) MAPTMAPK1SMN1; SMN2KMT2AGAA
SCHEMBL9462155 0.86 MAPT (0.48) MAPTMAPK1SMN1; SMN2KMT2AHTT
SCHEMBL9460911 0.82 MAPT (0.51) MAPTMAPK1SMN1; SMN2GAAHTT
SCHEMBL9481799 0.82 MAPK1 (0.41) MAPTMAPK1SMN1; SMN2KMT2AHTT
SCHEMBL9480191 0.82 MAPT (0.51) MAPTMAPK1SMN1; SMN2KMT2AMEN1
SCHEMBL9481984 0.82 MAPT (0.51) MAPTMAPK1SMN1; SMN2KMT2APOLB
SCHEMBL9482798 0.81 FKBP1A (0.45) MAPTMAPK1SMN1; SMN2KMT2APOLB
Bephenium SCHEMBL9186724 0.81 KMT2A (0.49) MAPTMAPK1SMN1; SMN2KMT2AGAA
SCHEMBL9482052 0.80 MAPT (0.43) MAPTMAPK1SMN1; SMN2KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5187037-A TONERS AND DEVELOPERS CONTAINING ESTER-CONTAINING QUATERNARY AMMONIUM SALTS AS CHARGE CONTROL AGENTS EASTMAN KODAK COMPANY (US) 1993-02-16 US claimed
WO-1993002041-A1 ESTER-CONTAINING QUATERNARY AMMONIUM SALTS EASTMAN KODAK COMPANY (US) 1993-02-04 WO claimed
US-5187037-A TONERS AND DEVELOPERS CONTAINING ESTER-CONTAINING QUATERNARY AMMONIUM SALTS AS CHARGE CONTROL AGENTS EASTMAN KODAK COMPANY (US) 1993-02-16 US disclosed