SCHEMBL3425208

SCHEMBL3425208

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.37
POLB P06746 1/20 0.35
RAD52 P43351 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MERTK Q12866 2/20 0.33
KCNH3 Q9ULD8 2/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL3427062 0.81 ACHE (0.55) ACHEPOLBRAD52MEN1KMT2A
SCHEMBL14502651 0.79 ACHE (0.39) ACHEMEN1KMT2AMAPTKDM4E
SCHEMBL3426006 0.75 ACHE (0.46) ACHEMEN1KMT2AMAPT
Bromide SCHEMBL3399159 0.74 ACHE (0.45) ACHEMEN1KMT2AMAPTGAA
SCHEMBL626616 0.73 KDM4E (0.39) ACHEPOLBMEN1KMT2AALDH1A1
SCHEMBL3425204 0.73 ACHE (0.41) ACHEMEN1KMT2AMAPT
Bromide SCHEMBL3396190 0.72 ACHE (0.40) ACHEMEN1KMT2A
Hydrochloric Acid SCHEMBL3397163 0.72 ACHE (0.40) ACHEMEN1KMT2AKDM4E
SCHEMBL5277580 0.72 TAAR1 (0.52) ACHEMEN1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL5399416 0.71 TAAR1 (0.51) ACHEMEN1KMT2AALDH1A1MAPT

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