SCHEMBL3422053

SCHEMBL3422053

C=CC[n+]1c2ccccc2c(-c2ccc(N(CC)CC)cc2OC)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.42
BCHE P06276 2/20 0.42
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 4/20 0.40
POLB P06746 2/20 0.40
GFER P55789 2/20 0.40
CYBB P04839 1/20 0.36
NOX4 Q9NPH5 1/20 0.36
USP2 O75604 2/20 0.36
NLRP3 Q96P20 2/20 0.36
BLM P54132 1/20 0.36
MAPT P10636 5/20 0.33
LMNA P02545 3/20 0.33
KDM4E B2RXH2 2/20 0.33
CRHR1 P34998 2/20 0.33
NSD2 O96028 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
Bromide SCHEMBL3396017 0.99 ACHE (0.41) ACHEBCHEALDH1A1L3MBTL1KMT2A
SCHEMBL3424591 0.88 CNR2 (0.36) ACHEBCHEALDH1A1L3MBTL1KMT2A
SCHEMBL3427099 0.87 NPC1 (0.47) ACHEBCHEALDH1A1L3MBTL1KMT2A
SCHEMBL3425683 0.85 ACHE (0.43) ACHEBCHEALDH1A1L3MBTL1KMT2A
Bromide SCHEMBL3396247 0.84 ACHE (0.42) ACHEBCHEALDH1A1L3MBTL1KMT2A
SCHEMBL3426921 0.84 ACHE (0.42) ACHEBCHEALDH1A1L3MBTL1KMT2A
SCHEMBL3424594 0.84 ACHE (0.33) ACHEBCHEALDH1A1L3MBTL1KMT2A
SCHEMBL3423276 0.83 ACHE (0.59) ACHEBCHEALDH1A1L3MBTL1KMT2A
Bromide SCHEMBL3396316 0.82 ACHE (0.58) ACHEBCHEALDH1A1L3MBTL1KMT2A
SCHEMBL3423158 0.78 ACHE (0.66) ACHEBCHEALDH1A1L3MBTL1KMT2A

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