SCHEMBL6510246

SCHEMBL6510246

CS(=O)(=O)Nc1csc(N)c1S(N)(=O)=O.Nc1ccc(N)c(S(N)(=O)=O)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA9 Q16790 3/20 0.32
L3MBTL1 Q9Y468 3/20 0.31
CA12 O43570 2/20 0.31
CYP2C9 P11712 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
POLB P06746 3/20 0.30
MAPT P10636 3/20 0.30
KDM4E B2RXH2 2/20 0.30
MEN1 O00255 2/20 0.30

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
SCHEMBL4000892 0.84 CA12 (0.38) CA1CA2CA9L3MBTL1CA12
SCHEMBL390917 0.74 ALDH1A1 (0.48) CA1CA2CA9L3MBTL1CA12
SCHEMBL393315 0.72 CA2 (0.54) CA1CA2CA9L3MBTL1CA12
SCHEMBL31095544 0.72 CA2 (0.54) CA1CA2CA9L3MBTL1CA12
SCHEMBL392853 0.69 CA12 (0.55) CA1CA2CA9CA12CYP2C9
SCHEMBL19099945 0.66 GAA (0.41) L3MBTL1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3244812 0.65 L3MBTL1 (0.42) CA1CA2CA9L3MBTL1CA12
SCHEMBL9175606 0.64 L3MBTL1 (0.61) CA1CA2CA9L3MBTL1CA12
SCHEMBL23226730 0.64 ADRB3 (0.56)
SCHEMBL6573116 0.64 EP300 (0.50) L3MBTL1POLBMAPTKDM4EMEN1

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-2005019191-A2 1, 1-DIOXIDO-4H-1,2,4-BENZOTHIADIAZINE DERIVATE UND VERWANDTE VERBINDUNGEN ALS INHIBITOREN DER HCV POLYMERASE ZUR BEHANDLUNG VON HEPATITIS C ABBOTT LABORATORIES (US) 2005-03-03 WO disclosed