SCHEMBL8768258

SCHEMBL8768258

CCCN(CCC)C(=O)c1ccc(S(=O)(=O)NC(=O)c2cnc(OC(=O)NCC(=O)O)c(OC)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
P4HTM Q9NXG6 3/20 0.38
LIMK1 P53667 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LIMK2 P53671 1/20 0.36
EGFR P00533 4/20 0.36
PTGS2 P35354 2/20 0.35
EGLN1 Q9GZT9 1/20 0.35
SCN9A Q15858 1/20 0.34
PTGS1 P23219 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL8767162 0.93 LMNA (0.40) P4HTMLIMK1LIMK2EGFRPTGS2
SCHEMBL8099328 0.91 P4HTM (0.37) P4HTMLIMK1KDM4EALDH1A1LIMK2
SCHEMBL8766943 0.86 PTGS2 (0.48) P4HTMEGFRPTGS2SCN9APTGS1
SCHEMBL8096944 0.84 SMN1; SMN2 (0.39) P4HTMEGFRPTGS2SCN9A
SCHEMBL8097664 0.84 ABL1 (0.37) P4HTMEGFRPTGS2SCN9A
SCHEMBL8767144 0.84 LMNA (0.38) P4HTMLIMK1LIMK2EGFRPTGS2
SCHEMBL8917617 0.83 LIMK1 (0.42) CA1CA2CA9P4HTMLIMK1
SCHEMBL8768423 0.83 LMNA (0.41) P4HTMLIMK1LIMK2EGFRPTGS2
SCHEMBL8768360 0.81 L3MBTL1 (0.50) ALDH1A1
SCHEMBL8768266 0.81 ROCK2 (0.46) CA1CA2CA9ALDH1A1PTGS2

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