SCHEMBL3419894

SCHEMBL3419894

CC[n+]1c2ccccc2c(-c2ccc(N3CCOCC3)cc2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.44
MAPT P10636 9/20 0.43
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 6/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
HCRTR1 O43613 1/20 0.43
CNR2 P34972 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.41
MAPK1 P28482 4/20 0.41
HPGD P15428 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 2/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL3427370 0.89 ACHE (0.40) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL3424641 0.88 ACHE (0.40) MAPTALDH1A1KDM4ENPC1RAB9A
Bromide SCHEMBL3399517 0.86 CHKA (0.41) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL3423867 0.86 ADRA2C (0.42) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL3426848 0.85 ADRB1 (0.45) ALDH1A1HSD17B10ACHEUSP2KDM1A
SCHEMBL3421081 0.85 ACHE (0.56) AHRMAPTALDH1A1KDM4ENPC1
SCHEMBL3424631 0.84 MAPT (0.56) AHRMAPTALDH1A1KDM4ENPC1
Hydrochloric Acid SCHEMBL3396117 0.82 MAPT (0.39) AHRMAPTALDH1A1KDM4ENPC1
Bromide SCHEMBL3398605 0.82 MAPT (0.39) AHRMAPTALDH1A1KDM4ENPC1
SCHEMBL13510996 0.81 LMNA (0.59) AHRMAPTALDH1A1KDM4ENPC1

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