SCHEMBL3399228

SCHEMBL3399228

CCN(CC)c1ccc(-c2c3ccccc3[n+](C)c3ccccc23)c(OC)c1.Cc1ccc(O)cc1S(=O)(=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.41
BCHE P06276 3/20 0.37
MAPT P10636 3/20 0.34
ALDH1A1 P00352 3/20 0.34
GFER P55789 2/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 2/20 0.33
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
ESR1 P03372 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL3424423 0.90 ACHE (0.45) ACHEBCHEMAPTALDH1A1MAPK1
SCHEMBL3424740 0.90 ACHE (0.45) ACHEBCHEMAPTALDH1A1MEN1
SCHEMBL3424594 0.89 ACHE (0.33) ACHEBCHEMAPTALDH1A1GFER
SCHEMBL3398309 0.85 ACHE (0.40) ACHEBCHEMAPTALDH1A1MEN1
SCHEMBL3399226 0.84 ACHE (0.46) ACHEBCHEMAPTALDH1A1GFER
SCHEMBL3423276 0.82 ACHE (0.59) ACHEBCHEALDH1A1GFERMEN1
Bromide SCHEMBL3396316 0.81 ACHE (0.58) ACHEBCHEALDH1A1GFERMEN1
SCHEMBL3427254 0.79 ALDH1A1 (0.33) ACHEBCHEMAPTALDH1A1MAPK1
SCHEMBL3399613 0.76 ACHE (0.44) ACHERAB9ALMNAHTTESR1
SCHEMBL3394725 0.76 ACHE (0.47) ACHEMAPTALDH1A1MAPK1KMT2A

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