SCHEMBL3395720

SCHEMBL3395720

CN1CCN(c2ccc(-c3c4ccccc4[n+](C)c4ccccc34)cc2)CC1.Cc1ccc(O)cc1S(=O)(=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.40
KIF11 P52732 3/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.37
BRD4 O60885 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2C P18825 1/20 0.36
KDR P35968 1/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
MAP2 P11137 1/20 0.35

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
SCHEMBL3396616 0.93 ACHE (0.39) ACHEKIF11TP53MAPTGAA
SCHEMBL3394577 0.92 ACHE (0.39) ACHEKIF11TP53MAPTGAA
SCHEMBL3397200 0.91 MCL1 (0.42) ACHEKIF11TP53MAPTGAA
SCHEMBL3393911 0.90 HTR6 (0.38) ACHEKDR
SCHEMBL3400104 0.87 TP53 (0.35) ACHEKIF11TP53MAPTGAA
SCHEMBL3425991 0.82 MEN1 (0.36) KIF11TP53MAPTGAAKMT2A
SCHEMBL3395718 0.81 ACHE (0.49) ACHEMAPTGAAADRA2AADRA2C
SCHEMBL3399613 0.81 ACHE (0.44) ACHE
SCHEMBL3396239 0.80 MEN1 (0.33) KIF11TP53MAPTGAAKMT2A
SCHEMBL3427456 0.79 ACHE (0.56) ACHEMAPTGAAGFERADRA2A

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 2 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 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