SCHEMBL8099328

SCHEMBL8099328

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PTGS2 P35354 1/20 0.36
EGFR P00533 3/20 0.35
LIMK1 P53667 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
SCN9A Q15858 2/20 0.34
TP53 P04637 1/20 0.33
LIMK2 P53671 1/20 0.33

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
SCHEMBL8096944 0.94 SMN1; SMN2 (0.39) P4HTMPTGS2EGFRKMT2ASMN1; SMN2
SCHEMBL8768258 0.91 CA1 (0.39) P4HTMKDM4EALDH1A1PTGS2EGFR
SCHEMBL8874117 0.88 P4HTM (0.38) P4HTMKDM4EALDH1A1PTGS2EGFR
SCHEMBL8104048 0.87 PTGS2 (0.44) P4HTMPTGS2EGFRNPC1RAB9A
SCHEMBL8099449 0.84 LMNA (0.37) PTGS2EGFRSMN1; SMN2SCN9A
SCHEMBL8767162 0.84 LMNA (0.40) P4HTMPTGS2EGFRLIMK1SMN1; SMN2
SCHEMBL8875242 0.84 LIMK1 (0.39) P4HTMKDM4EALDH1A1PTGS2EGFR
SCHEMBL8106135 0.84 LMNA (0.40) P4HTMPTGS2EGFRLIMK1NPC1
SCHEMBL8097664 0.83 ABL1 (0.37) P4HTMPTGS2EGFRSMN1; SMN2SCN9A
SCHEMBL8768279 0.83 LMNA (0.42) ALDH1A1KMT2ASMN1; SMN2MEN1

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-0673932-B1 Sulfonamidocarbonyl-pyridine-2-carboxamides as well as their pyridine-N-oxides, process for their preparation and their use as medicaments HOECHST AG (DE) 2000-06-07 EP disclosed
EP-0673932-A1 Sulfonamidocarbonyl-pyridine-2-carboxamides as well as their pyridine-N-oxides, process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-27 EP disclosed