SCHEMBL3397200

SCHEMBL3397200

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 4/20 0.40
GAA P10253 3/20 0.40
MAPK1 P28482 2/20 0.40
PKM P14618 2/20 0.40
RAD52 P43351 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
AHR P35869 1/20 0.39
TP53 P04637 2/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
HCRTR1 O43613 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 1/20 0.38

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 0.93 ACHE (0.39) MCL1KMT2AMEN1MAPTGAA
SCHEMBL3394577 0.92 ACHE (0.39) MCL1KMT2AMEN1MAPTGAA
SCHEMBL3395720 0.91 ACHE (0.40) KMT2AMEN1MAPTGAATP53
SCHEMBL3393911 0.90 HTR6 (0.38) ALDH1A1LMNAKDM4EACHE
SCHEMBL3396031 0.87 MCL1 (0.38) MCL1KMT2AMEN1MAPTGAA
SCHEMBL3425991 0.82 MEN1 (0.36) MCL1KMT2AMEN1MAPTGAA
SCHEMBL3397193 0.81 MAPT (0.50) MCL1KMT2AMEN1MAPTGAA
SCHEMBL3399613 0.81 ACHE (0.44) LMNAKDM4ERAB9AHTTACHE
SCHEMBL3396239 0.80 MEN1 (0.33) MCL1KMT2AMEN1MAPTGAA
SCHEMBL3421081 0.79 ACHE (0.56) KMT2AMEN1MAPTGAAMAPK1

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