SCHEMBL4725918

SCHEMBL4725918

CC1=[N+](CCCN)c2ccc(S(=O)(=O)[O-])cc2C1(C)C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43

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
Bromide SCHEMBL4727423 0.99 LMNA (0.42) LMNATDP1MEN1MAPTTHRB
SCHEMBL7750100 0.88 LMNA (0.47) LMNATDP1MEN1MAPTTHRB
Bromide SCHEMBL6537215 0.87 MEN1 (0.41) LMNATDP1MEN1MAPTTHRB
SCHEMBL634270 0.86 MAPT (0.42) LMNATDP1MEN1MAPTTHRB
SCHEMBL135011 0.85 LMNA (0.41) LMNATDP1MEN1MAPTTHRB
Potassium Ion SCHEMBL7745644 0.85 MAPT (0.41) LMNATDP1MEN1MAPTTHRB
SCHEMBL31166034 0.85 MAPT (0.41) LMNATDP1MEN1MAPTTHRB
Potassium Ion SCHEMBL30656252 0.85 MAPT (0.41) LMNATDP1MEN1MAPTTHRB
SCHEMBL29949152 0.84 LMNA (0.44) LMNATDP1MEN1MAPTTHRB
SCHEMBL559842 0.84 LMNA (0.40) LMNATDP1MEN1MAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008027075-A2 SULFHYDRYL-REACTIVE, WATER SOLUBLE DYES THE SCRIPPS RESEARCH INSTITUTE (US) 2008-03-06 WO disclosed