SCHEMBL3427062

SCHEMBL3427062

C[n+]1c2ccccc2c(-c2ccc(NCCCO)cc2)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.55
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
MMP14 P50281 1/20 0.42
BLM P54132 1/20 0.42
CASP6 P55212 1/20 0.42
KMT2A Q03164 1/20 0.42
RAD52 P43351 1/20 0.39

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
SCHEMBL3425208 0.81 ACHE (0.37) ACHEPOLBMEN1KMT2ARAD52
SCHEMBL14502652 0.76 ACHE (0.67) ACHEPOLBMEN1MMP14BLM
SCHEMBL3422782 0.71 ACHE (0.71) ACHEMEN1KMT2A
SCHEMBL6904073 0.71 ACHE (1.00) ACHE
SCHEMBL29557282 0.71 ACHE (1.00) ACHE
SCHEMBL29722205 0.71 ALDH1A1 (0.55) POLBRAD52
Hydrochloric Acid SCHEMBL3396105 0.70 ACHE (0.69) ACHE
Bromide SCHEMBL3397501 0.70 ACHE (0.69) ACHEMEN1KMT2A
SCHEMBL3427055 0.70 ACHE (0.61) ACHEMEN1KMT2A
SCHEMBL5276264 0.70 ACHE (0.63) ACHEMEN1KMT2A

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