SCHEMBL9540277

SCHEMBL9540277

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 7/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HPGD P15428 3/20 0.43
CYP19A1 P11511 1/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
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 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
SCHEMBL9540273 0.92 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL9538940 0.90 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL9538938 0.82 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
Benzododecinium SCHEMBL9496459 0.82 DNM1 (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2CYP19A1
SCHEMBL133249 0.82 DNM1 (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2CYP19A1
Bephenium SCHEMBL9186806 0.81 KMT2A (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2CYP19A1
SCHEMBL9482308 0.80 MAPT (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL9539077 0.79 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL9540491 0.78 BCHE (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL9479956 0.77 DNM1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2CYP19A1

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