SCHEMBL9540273

SCHEMBL9540273

CC(=O)NCC[N+](C)(C)Cc1ccccc1.O=[N+]([O-])c1cccc(S(=O)(=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
HPGD P15428 3/20 0.43
CYP19A1 P11511 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
AR P10275 1/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL9540277 0.92 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL9538938 0.90 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL9538940 0.82 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL133248 0.81 DNM1 (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2CYP19A1
Benzododecinium SCHEMBL8411871 0.81 DNM1 (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2CYP19A1
SCHEMBL9482305 0.80 MAPT (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL9460822 0.80 MAPT (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2CYP19A1
Bephenium SCHEMBL9186724 0.80 KMT2A (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2CYP19A1
SCHEMBL9540418 0.79 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL9461042 0.78 MAPT (0.52) ALDH1A1KMT2ASMN1; SMN2MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993002399-A1 TONERS AND DEVELOPERS CONTAINING AMIDE-CONTAINING QUATERNARY AMMONIUM SALTS AS CHARGE CONTROL AGENTS EASTMAN KODAK COMPANY (US) 1993-02-04 WO claimed
US-5162188-A Toners and developers containing amide-containing quaternary ammonium salts as charge control agents EASTMAN KODAK COMPANY (US) 1992-11-10 US claimed
WO-1993002042-A1 AMIDE-CONTAINING QUATERNARY AMMONIUM SALTS EASTMAN KODAK COMPANY (US) 1993-02-04 WO disclosed
WO-1993002399-A1 TONERS AND DEVELOPERS CONTAINING AMIDE-CONTAINING QUATERNARY AMMONIUM SALTS AS CHARGE CONTROL AGENTS EASTMAN KODAK COMPANY (US) 1993-02-04 WO disclosed
US-5162188-A Toners and developers containing amide-containing quaternary ammonium salts as charge control agents EASTMAN KODAK COMPANY (US) 1992-11-10 US disclosed