SCHEMBL3424740

SCHEMBL3424740

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.45
BCHE P06276 3/20 0.37
MAPT P10636 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 5/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
PPARG P37231 1/20 0.33
BLM P54132 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
CYP3A4 P08684 1/20 0.33
PTGS1 P23219 1/20 0.33
GAA P10253 1/20 0.32
PKM P14618 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 0.94 ACHE (0.45) ACHEBCHEMAPTALDH1A1MEN1
SCHEMBL3399228 0.90 ACHE (0.41) ACHEBCHEMAPTNPC1RAB9A
SCHEMBL3398309 0.89 ACHE (0.40) ACHEBCHEMAPTALDH1A1MEN1
SCHEMBL3427254 0.88 ALDH1A1 (0.33) ACHEBCHEMAPTNPC1RAB9A
SCHEMBL3424738 0.84 ACHE (0.48) ACHEBCHEALDH1A1MEN1KMT2A
SCHEMBL3421170 0.82 ACHE (0.63) ACHEBCHEMAPTNPC1RAB9A
Bromide SCHEMBL3427155 0.81 ACHE (0.62) ACHEBCHEMAPTNPC1RAB9A
SCHEMBL3399613 0.79 ACHE (0.44) ACHERAB9APTGS1ESR1KDM4E
SCHEMBL3394725 0.79 ACHE (0.47) ACHEMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL3424594 0.79 ACHE (0.33) ACHEBCHEMAPTNPC1RAB9A

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