SCHEMBL8557169

SCHEMBL8557169

Nc1ccncc1NS(=O)(=O)C(=O)C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.44
▸ HDAC3 O15379 3/20 0.44
▸ HDAC2 Q92769 3/20 0.44
▸ PTGS1 P23219 7/20 0.42
▸ PTGS2 P35354 6/20 0.40
▸ KDM4C Q9H3R0 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ AOC1 P19801 1/20 0.35
▸ AOC3 Q16853 1/20 0.35

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
SCHEMBL8556962 0.82 HDAC3 (0.45) HDAC1HDAC3HDAC2PTGS1PTGS2
SCHEMBL8557857 0.73 PTGS1 (0.39) PTGS1PTGS2KDM4CALDH1A1GAA
SCHEMBL11594018 0.73 CA12 (0.40) HDAC1HDAC3HDAC2PTGS1PTGS2
SCHEMBL18857498 0.72 GAA (0.42) PTGS1PTGS2KDM4CALDH1A1GAA
SCHEMBL9259585 0.70 BRS3 (0.45) HDAC1HDAC3HDAC2ALDH1A1NPSR1
SCHEMBL28564192 0.68 AOC1 (0.62) PTGS1PTGS2GAAAOC1AOC3
SCHEMBL5279626 0.68 HDAC3 (0.43) HDAC1HDAC3HDAC2KDM4CALDH1A1
SCHEMBL18854020 0.67 CA12 (0.41) PTGS1PTGS2KDM4CALDH1A1GAA
SCHEMBL28577780 0.67 AOC1 (0.61) PTGS1PTGS2GAAAOC1AOC3
Hydrochloric Acid SCHEMBL9042761 0.67 HDAC3 (0.42) HDAC1HDAC3HDAC2KDM4CALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0618209-B1 Pyridothiadiazines, processes for their preparation and pharmaceutical compositions containing them ADIR (FR) 1998-12-23 — — EP disclosed
EP-0618209-A1 Pyridothiadiazines, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-10-05 — — EP disclosed
Send feedback