SCHEMBL8868641

SCHEMBL8868641

COC(=O)CNC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCc3ccccc3)cc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 4/20 0.54
SCN3A Q9NY46 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
CA2 P00918 1/20 0.47
EPHX2 P34913 2/20 0.47
HPGDS O60760 2/20 0.46
PRKAA2 P54646 1/20 0.46
CXCR3 P49682 1/20 0.45
NAMPT P43490 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL8869654 0.92 P4HTM (0.51) P4HTMSCN3AL3MBTL1ALDH1A1LMNA
SCHEMBL8869289 0.91 HTT (0.53) P4HTML3MBTL1ALDH1A1LMNAHPGDS
SCHEMBL8869164 0.91 P4HTM (0.50) P4HTMSCN3AL3MBTL1ALDH1A1LMNA
SCHEMBL8869203 0.91 P4HTM (0.52) P4HTMSCN3AL3MBTL1LMNACA2
SCHEMBL8869158 0.90 P4HTM (0.49) P4HTMSCN3AL3MBTL1ALDH1A1LMNA
SCHEMBL8869868 0.90 P4HTM (0.66) P4HTMALDH1A1
SCHEMBL8868562 0.90 P4HTM (0.51) P4HTMNAMPT
SCHEMBL8868326 0.89 P4HTM (0.50) P4HTMEPHX2NAMPT
SCHEMBL8869822 0.89 P4HTM (0.54) P4HTMSCN3AL3MBTL1ALDH1A1LMNA
SCHEMBL8870171 0.88 P4HTM (0.49) P4HTMEPHX2

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
US-5607954-A Sulfonamido- and sulfonamidocarbonylpyridine-2-carboxamides and their pyridine-n-oxides, process for their preparation and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed