SCHEMBL3400104

SCHEMBL3400104

C=CC[n+]1c2ccccc2c(-c2ccc(N3CCN(C)CC3)cc2)c2ccccc21.Cc1ccc(O)cc1S(=O)(=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
BRD4 O60885 2/20 0.35
KIF11 P52732 4/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2C P18825 1/20 0.35
GFER P55789 1/20 0.34
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
BRDT Q58F21 1/20 0.33
KDR P35968 1/20 0.33
ACHE P22303 1/20 0.33
CDK4 P11802 2/20 0.33
CCND1 P24385 2/20 0.33
TSHR P16473 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
MAP2 P11137 1/20 0.32

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) TP53MAPTGAAKIF11TSHR
SCHEMBL3399519 0.93 MEN1 (0.35) TP53MAPTGAAKIF11TSHR
SCHEMBL3396031 0.92 MCL1 (0.38) TP53MAPTGAAKIF11KMT2A
SCHEMBL3424154 0.91 HTR6 (0.34) BRD4BRD2BRD3KDR
SCHEMBL3395720 0.87 ACHE (0.40) TP53MAPTGAABRD4KIF11
SCHEMBL3400103 0.84 KMT2A (0.37) MAPTGAAADRA2AADRA2CACHE
SCHEMBL3423373 0.83 CFTR (0.34) ACHE
SCHEMBL3425991 0.82 MEN1 (0.36) TP53MAPTGAAKIF11TSHR
SCHEMBL3427064 0.82 ADRA2C (0.42) MAPTGAAADRA2AADRA2CGFER
Bromide SCHEMBL3398910 0.81 ADRA2C (0.41) MAPTGAAADRA2AADRA2CGFER

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