SCHEMBL8768266

SCHEMBL8768266

COc1cc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCc3ccc(F)cc3)cc2)cnc1OC(=O)NCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 1/20 0.45
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
NAMPT P43490 1/20 0.42
BCL2L1 Q07817 1/20 0.42
MCL1 Q07820 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NLRP3 Q96P20 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41

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
SCHEMBL8768350 0.91 MAPT (0.44) ROCK2ROCK1MAPTTSHRCA1
SCHEMBL9235404 0.90 MAPT (0.46) ROCK2MAPTCA1CA2CA7
SCHEMBL8916374 0.88 ROCK2 (0.48) ROCK2ROCK1MAPTTSHRALDH1A1
SCHEMBL8767145 0.84 LMNA (0.47) MAPTTSHRALDH1A1CA1CA2
SCHEMBL8766943 0.83 PTGS2 (0.48) TSHRMCL1PTGS1PTGS2CYSLTR1
SCHEMBL8767162 0.82 LMNA (0.40) NAMPTPTGS1PTGS2
SCHEMBL8768360 0.82 L3MBTL1 (0.50) MAPTTSHRALDH1A1MEN1KMT2A
SCHEMBL8105999 0.81 MAPT (0.47) MAPTCA1CA2CA7CA9
SCHEMBL8768258 0.81 CA1 (0.39) ALDH1A1CA1CA2CA9PTGS1
SCHEMBL8917687 0.81 MAPT (0.45) ROCK2ROCK1MAPTTSHRCA1

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-0673931-B1 Sulfonamidocarbonyl-pyridine-2-carboxamides and their pyridine-N-oxides, process for their preparation and their use as medicaments HOECHST AG (DE) 1997-08-13 EP disclosed
EP-0673931-A1 Sulfonamidocarbonyl-pyridine-2-carboxamides and their pyridine-N-oxides, process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-27 EP disclosed