SCHEMBL3427784

SCHEMBL3427784

CC[n+]1c2ccccc2c(-c2ccc(N(C)CCO)cc2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.48
L3MBTL1 Q9Y468 4/20 0.39
MEN1 O00255 4/20 0.35
RAB9A P51151 4/20 0.35
KMT2A Q03164 4/20 0.35
NPC1 O15118 3/20 0.35
KLF5 Q13887 1/20 0.35
POLB P06746 3/20 0.33
BLM P54132 2/20 0.33
USP2 O75604 1/20 0.33
NLRP3 Q96P20 1/20 0.33
CHEK1 O14757 1/20 0.32
MAPT P10636 2/20 0.32
CYBB P04839 1/20 0.32
NOX4 Q9NPH5 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
PPARG P37231 2/20 0.32
HTT P42858 2/20 0.32
NCOA2 Q15596 2/20 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
SCHEMBL3427123 0.89 ACHE (0.45) ACHEL3MBTL1MEN1RAB9AKMT2A
SCHEMBL3424200 0.88 ACHE (0.56) ACHEL3MBTL1MEN1RAB9AKMT2A
SCHEMBL3427055 0.86 ACHE (0.61) ACHEL3MBTL1MEN1RAB9AKMT2A
Bromide SCHEMBL3398696 0.85 ACHE (0.59) ACHEL3MBTL1MEN1RAB9AKMT2A
Hydrochloric Acid SCHEMBL3424903 0.85 ACHE (0.59) ACHEL3MBTL1MEN1RAB9AKMT2A
SCHEMBL3425204 0.85 ACHE (0.41) ACHEL3MBTL1MEN1RAB9AKMT2A
Bromide SCHEMBL3396190 0.84 ACHE (0.40) ACHEL3MBTL1MEN1RAB9AKMT2A
Hydrochloric Acid SCHEMBL3397163 0.84 ACHE (0.40) ACHEL3MBTL1MEN1RAB9AKMT2A
SCHEMBL3425651 0.83 ACHE (0.55) ACHEL3MBTL1MEN1RAB9AKMT2A
SCHEMBL3424099 0.79 ACHE (0.75) ACHEL3MBTL1MEN1RAB9AKMT2A

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