SCHEMBL3398023

SCHEMBL3398023

CN(CCO)c1ccc(-c2c3ccccc3[n+](C)c3ccccc23)cc1.Cc1ccc(O)cc1S(=O)(=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.42
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
RORC P51449 1/20 0.31
USP2 O75604 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL3394725 0.92 ACHE (0.47) ACHEKMT2AHPGDSMN1; SMN2KDM4E
SCHEMBL3399613 0.88 ACHE (0.44) ACHEKDM4ELMNA
SCHEMBL3394509 0.88 HPGD (0.34) ACHEKMT2AHPGDSMN1; SMN2KDM4E
SCHEMBL3398018 0.82 ACHE (0.48) ACHEKMT2AHPGDSMN1; SMN2KDM4E
SCHEMBL3399126 0.81 ACHE (0.43) ACHE
SCHEMBL3398309 0.81 ACHE (0.40) ACHEKMT2AHPGDKDM4EALDH1A1
SCHEMBL3427055 0.81 ACHE (0.61) ACHEKMT2AMEN1L3MBTL1
SCHEMBL3396330 0.80 ACHE (0.34) ACHEKMT2AHPGDSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL3424903 0.79 ACHE (0.59) ACHEKMT2AKDM4ELMNAMEN1
Bromide SCHEMBL3398696 0.79 ACHE (0.59) ACHEKMT2AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245013-A1 9-Ý4-(AMINO) PHENYL¨ACRIDINIUM SALTS AS CATIONIC DIRECT DYES FOR COLORING KERATINOUS FIBERS Henkel AG & Co. KGaA (DE) 2010-11-03 EP claimed
WO-2009103798-A1 9-[4-(AMINO) PHENYL] ACRIDINIUM SALTS AS CATIONIC DIRECT DYES FOR COLORING KERATINOUS FIBERS HENKEL AG & CO. KGAA (DE) 2009-08-27 WO claimed
EP-2245013-A1 9-Ý4-(AMINO) PHENYL¨ACRIDINIUM SALTS AS CATIONIC DIRECT DYES FOR COLORING KERATINOUS FIBERS Henkel AG & Co. KGaA (DE) 2010-11-03 EP disclosed
WO-2009103798-A1 9-[4-(AMINO) PHENYL] ACRIDINIUM SALTS AS CATIONIC DIRECT DYES FOR COLORING KERATINOUS FIBERS HENKEL AG & CO. KGAA (DE) 2009-08-27 WO disclosed