SCHEMBL3396239

SCHEMBL3396239

C=CC[n+]1c2ccccc2c(-c2ccc(N3CCCC3)cc2)c2ccccc21.Cc1ccc(O)cc1S(=O)(=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 5/20 0.33
TP53 P04637 3/20 0.33
GAA P10253 3/20 0.33
MCL1 Q07820 1/20 0.33
KIF11 P52732 6/20 0.33
LMNA P02545 4/20 0.32
HPGD P15428 2/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HTT P42858 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL3399519 0.99 MEN1 (0.35) MEN1KMT2ASMN1; SMN2NPSR1MAPT
SCHEMBL3400104 0.93 TP53 (0.35) MEN1KMT2AMAPTTP53GAA
SCHEMBL3396031 0.93 MCL1 (0.38) MEN1KMT2ASMN1; SMN2MAPTTP53
SCHEMBL3424154 0.93 HTR6 (0.34) LMNAALDH1A1KDM4E
SCHEMBL3425991 0.89 MEN1 (0.36) MEN1KMT2ASMN1; SMN2NPSR1MAPT
SCHEMBL3396616 0.87 ACHE (0.39) MEN1KMT2ASMN1; SMN2NPSR1MAPT
SCHEMBL3394577 0.86 ACHE (0.39) MEN1KMT2ASMN1; SMN2NPSR1MAPT
SCHEMBL3423373 0.84 CFTR (0.34)
SCHEMBL3396235 0.83 CNR2 (0.43) MEN1KMT2ANPSR1MAPTTP53
SCHEMBL3399516 0.82 CNR2 (0.45) MEN1KMT2ANPSR1MAPTTP53

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