SCHEMBL9540418

SCHEMBL9540418

C[N+](C)(C)CCNC(=O)c1ccccc1.O=[N+]([O-])c1cccc(S(=O)(=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
HPGD P15428 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.50
KDM1A O60341 1/20 0.48
MAOA P21397 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
RAB9A P51151 2/20 0.47
CXCR3 P49682 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL9539077 0.91 ALDH1A1 (0.54) ALDH1A1HPGDSMN1; SMN2LMNAL3MBTL1
SCHEMBL9538938 0.90 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2LMNAL3MBTL1
SCHEMBL9538940 0.82 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2LMNAL3MBTL1
SCHEMBL9540273 0.79 ALDH1A1 (0.44) ALDH1A1HPGDSMN1; SMN2LMNAL3MBTL1
SCHEMBL9482410 0.77 MAPT (0.52) ALDH1A1SMN1; SMN2LMNAGAAKMT2A
SCHEMBL15071554 0.77 LMNA (0.61) ALDH1A1HPGDSMN1; SMN2LMNAGAA
Hydrogen Peroxide SCHEMBL11415144 0.75 KMT2A (0.68) ALDH1A1LMNAGAACA1CA2
SCHEMBL9460538 0.75 MAPT (0.49) ALDH1A1SMN1; SMN2LMNAGAAKMT2A
SCHEMBL9461249 0.75 MAPT (0.49) ALDH1A1SMN1; SMN2GAAKMT2APOLB
Dinitrophenylene SCHEMBL27269874 0.75 ALDH1A1 (0.67) ALDH1A1HPGDSMN1; SMN2LMNAL3MBTL1

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-1993002042-A1 AMIDE-CONTAINING QUATERNARY AMMONIUM SALTS 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