SCHEMBL3427064

SCHEMBL3427064

C=CC[n+]1c2ccccc2c(-c2ccc(N3CCN(C)CC3)cc2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 5/20 0.42
ADRA2A P08913 4/20 0.42
ACHE P22303 2/20 0.42
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
XBP1 P17861 1/20 0.39
RAB9A P51151 1/20 0.39
KLF5 Q13887 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADRA2B P18089 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM1A O60341 1/20 0.38
GLA P06280 1/20 0.38
SLC2A1 P11166 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37

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
Hydrochloric Acid SCHEMBL3396430 0.99 ADRA2C (0.41) ADRA2CADRA2AACHEKDM4EMAPT
Bromide SCHEMBL3398910 0.99 ADRA2C (0.41) ADRA2CADRA2AACHEKDM4EMAPT
SCHEMBL3421102 0.89 CHKA (0.36) ADRA2CADRA2AACHEKDM4EMAPT
Bromide SCHEMBL3393302 0.88 CHKA (0.39) ACHEKDM4EMAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL3399953 0.88 CHKA (0.36) ACHEKDM4EMAPTNPC1RAB9A
SCHEMBL3424395 0.88 CHKA (0.38) ACHEKDM4EMAPTNPC1RAB9A
SCHEMBL3400103 0.87 KMT2A (0.37) ADRA2CADRA2AACHEMAPTALDH1A1
Bromide SCHEMBL3398336 0.86 CHKA (0.39) ACHEKDM4ESMN1; SMN2ALDH1A1TDP1
Hydrochloric Acid SCHEMBL3396117 0.85 MAPT (0.39) ACHEKDM4EMAPTNPC1RAB9A
Bromide SCHEMBL3398605 0.85 MAPT (0.39) ACHEKDM4EMAPTNPC1RAB9A

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