SCHEMBL3394725

SCHEMBL3394725

C[n+]1c2ccccc2c(-c2ccc(N(CCO)CCO)cc2)c2ccccc21.Cc1ccc(O)cc1S(=O)(=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.47
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
RORC P51449 1/20 0.31
USP2 O75604 1/20 0.31
MAPK1 P28482 1/20 0.31
PTGS1 P23219 1/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
MCL1 Q07820 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
SCHEMBL3398023 0.92 ACHE (0.42) ACHEHPGDKMT2ASMN1; SMN2KDM4E
SCHEMBL3399126 0.88 ACHE (0.43) ACHE
SCHEMBL3396330 0.88 ACHE (0.34) ACHEHPGDKMT2ASMN1; SMN2KDM4E
SCHEMBL3399613 0.87 ACHE (0.44) ACHEKDM4ELMNAPTGS1HTT
SCHEMBL3398309 0.85 ACHE (0.40) ACHEHPGDKMT2AKDM4EALDH1A1
SCHEMBL3394724 0.82 ACHE (0.53) ACHEHPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL3422782 0.80 ACHE (0.71) ACHEKMT2AGAAMAPTPKM
SCHEMBL3394509 0.80 HPGD (0.34) ACHEHPGDKMT2ASMN1; SMN2KDM4E
SCHEMBL3424740 0.79 ACHE (0.45) ACHEKMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL3424423 0.79 ACHE (0.45) ACHEKMT2ASMN1; SMN2ALDH1A1RORC

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