SCHEMBL3396031

SCHEMBL3396031

C=CC[n+]1c2ccccc2c(-c2ccc(N3CCOCC3)cc2)c2ccccc21.Cc1ccc(O)cc1S(=O)(=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 7/20 0.36
GAA P10253 4/20 0.36
TP53 P04637 2/20 0.36
AHR P35869 1/20 0.36
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HCRTR1 O43613 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 3/20 0.35
HTT P42858 2/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KIF11 P52732 2/20 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
SCHEMBL3396239 0.93 MEN1 (0.33) MCL1MEN1KMT2AMAPTGAA
SCHEMBL3399519 0.93 MEN1 (0.35) MCL1MEN1KMT2AMAPTGAA
SCHEMBL3400104 0.92 TP53 (0.35) MEN1KMT2AMAPTGAATP53
SCHEMBL3424154 0.91 HTR6 (0.34) ALDH1A1KDM4ELMNA
SCHEMBL3397200 0.87 MCL1 (0.42) MCL1MEN1KMT2AMAPTGAA
SCHEMBL3396027 0.84 MAPT (0.41) MCL1MEN1KMT2AMAPTGAA
SCHEMBL3423373 0.83 CFTR (0.34)
SCHEMBL3425991 0.82 MEN1 (0.36) MCL1MEN1KMT2AMAPTGAA
SCHEMBL3396330 0.80 ACHE (0.34) KMT2AALDH1A1KDM4ELMNAHPGD
Hydrochloric Acid SCHEMBL3396117 0.80 MAPT (0.39) MEN1KMT2AMAPTGAAAHR

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