SCHEMBL9540268

SCHEMBL9540268

CC(=O)NCCc1ccccc1CN(C)C.O=[N+]([O-])c1cccc(S(=O)(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 4/20 0.45
MTNR1A P48039 4/20 0.45
MTNR1B P49286 3/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 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
SCHEMBL9538932 0.90 ALDH1A1 (0.53) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL9498966 0.82 MAPT (0.43) MEN1KMT2AMAPTCA1CA2
SCHEMBL9498960 0.82 MAPT (0.43) MEN1KMT2AMAPTCA1CA2
SCHEMBL9186794 0.81 CHRNB2 (0.48) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL9540386 0.78 MAPT (0.53) MEN1KMT2AMAPTCA1CA2
SCHEMBL9540381 0.78 MAPT (0.53) MEN1KMT2AMAPTCA1CA2
SCHEMBL9540277 0.75 ALDH1A1 (0.46) MEN1KMT2AMAPTCA1CA2
Acetic Acid SCHEMBL10916478 0.74 KMT2A (0.62) MEN1KMT2AMAPTCA1CA2
Acetic Acid SCHEMBL10916467 0.73 KMT2A (0.60) MEN1KMT2AMAPTCA1CA2
Acetic Acid SCHEMBL10916481 0.73 KMT2A (0.60) MEN1KMT2AMAPTCA1CA2

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