SCHEMBL3394577

SCHEMBL3394577

C[n+]1c2ccccc2c(-c2ccc(N3CCCCC3)cc2)c2ccccc21.Cc1ccc(O)cc1S(=O)(=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.37
GAA P10253 1/20 0.37
KIF11 P52732 2/20 0.37
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
MCL1 Q07820 1/20 0.35
DHODH Q02127 1/20 0.35
SNCA P37840 1/20 0.35
LMNA P02545 3/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PMM2 O15305 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 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 0.99 ACHE (0.39) ACHEMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL3397200 0.92 MCL1 (0.42) ACHEMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL3395720 0.92 ACHE (0.40) ACHEMEN1KMT2AMAPTTP53
SCHEMBL3393911 0.91 HTR6 (0.38) ACHELMNAKDM4EALDH1A1
SCHEMBL3425991 0.90 MEN1 (0.36) MEN1KMT2ASMN1; SMN2NPSR1MAPT
SCHEMBL3399519 0.87 MEN1 (0.35) MEN1KMT2ASMN1; SMN2NPSR1MAPT
SCHEMBL3396239 0.86 MEN1 (0.33) MEN1KMT2ASMN1; SMN2NPSR1MAPT
SCHEMBL3399613 0.81 ACHE (0.44) ACHELMNAKDM4EHTT
SCHEMBL3394576 0.81 ACHE (0.50) ACHEMEN1KMT2ANPSR1MAPT
SCHEMBL3396612 0.80 ACHE (0.51) ACHEMEN1KMT2ANPSR1MAPT

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