SCHEMBL6807006

SCHEMBL6807006

Cc1cc(S(C)(=O)=O)ccc1NN

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
G6PD P11413 1/20 0.42
IDE P14735 1/20 0.42
ALDH1A1 P00352 6/20 0.41
ALDH3A1 P30838 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ENPP2 Q13822 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37

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
Hydrochloric Acid SCHEMBL6511653 0.98 CA1 (0.43) CA1CA2CA9G6PDIDE
SCHEMBL6810299 0.85 CA2 (0.62) CA1CA2CA9
Hydrochloric Acid SCHEMBL6517794 0.83 CA2 (0.61) CA1CA2CA9
SCHEMBL11715144 0.83 CA1 (0.43) CA1CA2CA9ALDH1A1MAPT
SCHEMBL17146965 0.82 ALDH1A1 (0.42) G6PDIDEALDH1A1ALDH3A1MAPT
SCHEMBL9135441 0.81 SMN1; SMN2 (0.50) CA1CA2CA9G6PDIDE
SCHEMBL9703261 0.79 CA2 (0.71) CA1CA2CA9ALDH1A1MAPT
SCHEMBL1243294 0.79 CA1 (0.71) CA1CA2CA9G6PDIDE
Hydrochloric Acid SCHEMBL6514091 0.78 CA1 (0.69) CA1CA2CA9G6PDIDE
SCHEMBL6810896 0.77 SMN1; SMN2 (0.54) CA1CA2CA9ALDH1A1LMNA

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-1086097-B1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER (US) 2004-05-19 EP claimed