SCHEMBL6948935

SCHEMBL6948935

CC1=NN(c2ccc(C=CC3=CCC(=[N+]=[N-])C=C3S(=O)(=O)O)c(S(=O)(=O)O)c2)C(=O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MAPT P10636 8/20 0.38
KMT2A Q03164 7/20 0.38
KDM4E B2RXH2 5/20 0.38
GAA P10253 4/20 0.38
ALDH1A1 P00352 7/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 5/20 0.36
TDP1 Q9NUW8 4/20 0.36
POLB P06746 2/20 0.36
CASP6 P55212 2/20 0.36
THRB P10828 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.34
CYP1A2 P05177 1/20 0.34
CHRM2 P08172 1/20 0.34

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
SCHEMBL6947889 0.77 MAPT (0.54) CA1CA2CA9MAPTKMT2A
SCHEMBL6947884 0.77 MAPT (0.54) CA1CA2CA9MAPTKMT2A
SCHEMBL6948933 0.74 MAPT (0.36) CA1CA2CA9MAPTKMT2A
SCHEMBL6953355 0.71 ENPP2 (0.47) CA1CA2CA9MAPTKMT2A
SCHEMBL6953367 0.71 ENPP2 (0.47) CA1CA2CA9MAPTKMT2A
SCHEMBL7608344 0.67 MAPT (0.49) CA1CA2CA9MAPTKMT2A
SCHEMBL6946288 0.67 MAPT (0.39) CA1CA2CA9MAPTKMT2A
SCHEMBL6956653 0.67 MAPT (0.39) CA1CA2CA9MAPTKMT2A
SCHEMBL29658293 0.64 CA1 (0.76) CA1CA2CA9MAPTKMT2A
SCHEMBL5386301 0.64 CA1 (0.76) CA1CA2CA9MAPTKMT2A

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-1261587-B1 STILBENE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIVIRAL AGENTS UNIV BASEL (CH) 2003-07-16 EP disclosed