SCHEMBL3399126

SCHEMBL3399126

CC(=O)OCCN(CCOC(C)=O)c1ccc(-c2c3ccccc3[n+](C)c3ccccc23)cc1.Cc1ccc(O)cc1S(=O)(=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.43
RAD52 P43351 1/20 0.33

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 0.88 ACHE (0.47) ACHE
SCHEMBL3399124 0.84 ACHE (0.47) ACHERAD52
SCHEMBL13748895 0.83 ACHE (0.60) ACHERAD52
SCHEMBL3399613 0.83 ACHE (0.44) ACHE
SCHEMBL3398023 0.81 ACHE (0.42) ACHE
SCHEMBL11387132 0.77 NR5A1 (0.40) ACHERAD52
SCHEMBL3396330 0.76 ACHE (0.34) ACHE
SCHEMBL3424740 0.75 ACHE (0.45) ACHE
SCHEMBL3424423 0.75 ACHE (0.45) ACHE
SCHEMBL3398309 0.74 ACHE (0.40) ACHE

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 2 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 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