SCHEMBL3398309

SCHEMBL3398309

CCN(CCO)c1ccc(-c2c3ccccc3[n+](C)c3ccccc23)c(C)c1.Cc1ccc(O)cc1S(=O)(=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.40
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
PPARG P37231 1/20 0.32
BLM P54132 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
RORC P51449 2/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
MCL1 Q07820 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
THRB P10828 1/20 0.30
RECQL P46063 1/20 0.30
PDK1 Q15118 1/20 0.30

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
SCHEMBL3424423 0.95 ACHE (0.45) ACHEKMT2AMEN1USP2POLB
SCHEMBL3424740 0.89 ACHE (0.45) ACHEKMT2AMEN1USP2POLB
SCHEMBL3394725 0.85 ACHE (0.47) ACHEKMT2AUSP2RORCGAA
SCHEMBL3398306 0.85 ACHE (0.42) ACHEKMT2AMEN1USP2POLB
SCHEMBL3399228 0.85 ACHE (0.41) ACHEKMT2AMEN1USP2POLB
SCHEMBL3398023 0.81 ACHE (0.42) ACHEKMT2AMEN1USP2RORC
SCHEMBL3424422 0.78 ACHE (0.49) ACHEKMT2AMEN1USP2POLB
SCHEMBL3427254 0.78 ALDH1A1 (0.33) ACHEKMT2AMEN1USP2POLB
SCHEMBL13749274 0.77 ACHE (0.63) ACHEKMT2AMEN1USP2POLB
SCHEMBL3399613 0.77 ACHE (0.44) ACHEHTTKDM4E

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