SCHEMBL6547200

SCHEMBL6547200

Cc1ccc(Nc2n[c]nc(F)n2)c(S(=O)(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
GAA P10253 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.46
RECQL P46063 2/20 0.46
CASP6 P55212 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ELAVL1 Q15717 1/20 0.46
RAPGEF4 Q8WZA2 1/20 0.35
SNCA P37840 2/20 0.35
NSD2 O96028 1/20 0.34
APEX1 P27695 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
HSD17B10 Q99714 3/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL7717587 0.86 TIMP3 (0.39) ALDH1A1GAAL3MBTL1KDM4EPOLB
SCHEMBL10878129 0.85 ALDH1A1 (0.48) ALDH1A1GAAL3MBTL1KDM4EPOLB
SCHEMBL10878619 0.82 KDM4E (0.32) ALDH1A1GAAL3MBTL1KDM4EPOLB
SCHEMBL4649932 0.82 TTR (0.40) ALDH1A1GAAL3MBTL1KDM4EPOLB
SCHEMBL7716378 0.80 SNCA (0.40) ALDH1A1GAAL3MBTL1KDM4EMAPT
SCHEMBL4650779 0.79 SNCA (0.35) ALDH1A1CASP6SNCAHSD17B10
SCHEMBL7718114 0.78 SNCA (0.40) ALDH1A1GAAL3MBTL1KDM4EPOLB
SCHEMBL17491050 0.76 GAA (0.61) ALDH1A1GAAL3MBTL1KDM4EPOLB
SCHEMBL7718715 0.75 LRRK2 (0.40) SNCA
SCHEMBL9010675 0.75 GAA (0.48) ALDH1A1GAAL3MBTL1KDM4EPOLB

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
EP-0962500-B1 Water soluble monoazo compounds, process for their preparation and their use as dyestuffs DYSTAR TEXTILFARBEN GMBH & CO (DE) 2004-01-28 EP disclosed