SCHEMBL8660419

SCHEMBL8660419

NNC(=O)NSS(=O)(=O)C1CCc2ccccc2O1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.43
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
SSTR4 P31391 1/20 0.35
HSD11B1 P28845 1/20 0.32
CA1 P00915 2/20 0.32
SMYD3 Q9H7B4 1/20 0.32
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31
NISCH Q9Y2I1 1/20 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
SCHEMBL6591970 0.88 CA2 (0.45) CA2HDAC3HDAC1HDAC2SSTR4
SCHEMBL8650317 0.74 CA2 (0.49) CA2HDAC3HDAC1HDAC2SSTR4
SCHEMBL6464770 0.72 CA2 (0.49) CA2HDAC3HDAC1HDAC2SSTR4
SCHEMBL6591026 0.72 CA2 (0.56) CA2SSTR4CA1HTR1AHTR1D
SCHEMBL8650215 0.71 CA2 (0.46) CA2HDAC3HDAC1HDAC2SSTR4
Acetic Acid SCHEMBL27984668 0.70 CA2 (0.44) CA2HDAC3HDAC1HDAC2SSTR4
SCHEMBL4672085 0.70 CA2 (0.49) CA2HDAC3HDAC1HDAC2SSTR4
SCHEMBL8650607 0.69 CA2 (0.47) CA2HDAC3HDAC1HDAC2SSTR4
SCHEMBL6591968 0.69 CA2 (0.44) CA2HDAC3HDAC1HDAC2SSTR4
SCHEMBL29212165 0.69 HDAC3 (0.54) CA2HDAC3HDAC1HDAC2SSTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1101815-C 3 -amidochromanylsulfonyl (thio) ureas, processes for their preparation, their use, and pharmaceutical preparations comprising them HOECHST AG (DE) 2003-02-19 CN disclosed
US-5849755-A 3-amidochromanylsulfonyl(thio)ureas, processes for their preparation, their use, and pharmaceutical preparations comprising them HOECHST AKTIENGESELLSCHAFT (DE) 1998-12-15 US disclosed
US-5849755-A 3-amidochromanylsulfonyl(thio)ureas, processes for their preparation, their use, and pharmaceutical preparations comprising them HOECHST AKTIENGESELLSCHAFT (DE) 1998-12-15 US disclosed
US-5849755-A 3-amidochromanylsulfonyl(thio)ureas, processes for their preparation, their use, and pharmaceutical preparations comprising them HOECHST AKTIENGESELLSCHAFT (DE) 1998-12-15 US disclosed
CN-1182741-A 3 -amidochromanylsulfonyl (thio) ureas, processes for their preparation, their use, and pharmaceutical preparations comprising them HOECHST AG (DE) 1998-05-27 CN disclosed