SCHEMBL9018087

SCHEMBL9018087

CCCCCCNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(OC(=O)OC(CC)CC)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.42
NAAA Q02083 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MLYCD O95822 1/20 0.39
P4HTM Q9NXG6 2/20 0.39
EGFR P00533 2/20 0.39
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
OPRK1 P41145 1/20 0.37
EPHX2 P34913 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
ALB P02768 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL9018148 0.96 CA2 (0.42) CA2RXFP1NPC1RAB9AP4HTM
SCHEMBL9018082 0.94 CA2 (0.47) CA2L3MBTL1NAAARXFP1NPC1
SCHEMBL9018392 0.92 CA2 (0.48) CA2L3MBTL1NAAARXFP1NPC1
SCHEMBL9018027 0.92 CA2 (0.52) CA2L3MBTL1NAAARXFP1NPC1
SCHEMBL9018053 0.91 CA2 (0.40) CA2L3MBTL1NAAARXFP1P4HTM
SCHEMBL9018422 0.90 CA2 (0.41) CA2NPC1RAB9AP4HTMEGFR
SCHEMBL9018499 0.90 OPRK1 (0.44) NPC1RAB9AMLYCDP4HTMOPRK1
SCHEMBL9018370 0.90 KMT2A (0.45) L3MBTL1NPC1RAB9AP4HTMEGFR
SCHEMBL9018203 0.89 EGFR (0.42) NPC1RAB9AP4HTMEGFROPRK1
SCHEMBL9018142 0.89 NPC1 (0.45) NPC1RAB9AMLYCDP4HTMOPRK1

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-0590520-B1 Acylsulphonamido and sulphonamidopyridine-2-carboxylic acid esters, pyridine-n-oxides thereof, a process for their preparation and their use as medicaments HOECHST AG (DE) 1996-06-12 EP disclosed
EP-0590520-A1 Acylsulphonamido and sulphonamidopyridine-2-carboxylic acid esters, pyridine-n-oxides thereof, a process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1994-04-06 EP disclosed