SCHEMBL7750100

SCHEMBL7750100

CCCC[N+]1=C(C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
THRB P10828 1/20 0.47
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
NR1I2 O75469 1/20 0.33
APP P05067 1/20 0.32
PRMT5 O14744 1/20 0.31
CARM1 Q86X55 1/20 0.31
PRMT1 Q99873 1/20 0.31
PRMT8 Q9NR22 1/20 0.31

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
SCHEMBL4725918 0.88 LMNA (0.43) LMNATDP1MAPTMEN1THRB
SCHEMBL7750107 0.88 MAPT (0.46) LMNATDP1MAPTMEN1THRB
Bromide SCHEMBL4727423 0.87 LMNA (0.42) LMNATDP1MAPTMEN1THRB
SCHEMBL634270 0.87 MAPT (0.42) LMNATDP1MAPTMEN1THRB
SCHEMBL41357 0.86 LMNA (0.63) LMNATDP1MAPTMEN1THRB
Potassium Ion SCHEMBL7745644 0.86 MAPT (0.41) LMNATDP1MAPTMEN1THRB
Potassium Ion SCHEMBL30656252 0.86 MAPT (0.41) LMNATDP1MAPTMEN1THRB
SCHEMBL31166034 0.86 MAPT (0.41) LMNATDP1MAPTMEN1THRB
SCHEMBL135011 0.86 LMNA (0.41) LMNATDP1MAPTMEN1THRB
SCHEMBL29949152 0.85 LMNA (0.44) LMNATDP1MAPTMEN1THRB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0898596-B1 SQUARATE DYES AND THEIR USE IN FLUORESCENT SEQUENCING METHOD AMERSHAM PHARM BIOTECH UK LTD (GB) 2001-08-29 EP disclosed
US-6140494-A INCREASED WATER SOLUBILITY, INCREASED PHOTOSTABILITY, BRIGHTNESS AND THE POTENTIAL REDUCTION OF INTERACTIONS WITH SURROUNDINGS AMERSHAM PHARMACIA BIOTECH UK LIMITED (GB) 2000-10-31 US disclosed
EP-0898596-A1 SQUARATE DYES AND THEIR USE IN FLUORESCENT SEQUENCING METHOD Amersham Pharmacia Biotech UK Limited (GB) 1999-03-03 EP disclosed
WO-1997040104-A1 SQUARATE DYES AND THEIR USE IN FLUORESCENT SEQUENCING METHOD AMERSHAM PHARMACIA BIOTECH UK LIMITED (GB) 1997-10-30 WO disclosed