SCHEMBL9018016

SCHEMBL9018016

CCOC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCc3ccccc3)cc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 1/20 0.49
EPHX2 P34913 4/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
P4HTM Q9NXG6 2/20 0.47
CA2 P00918 1/20 0.47
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
PPARG P37231 1/20 0.45
HPGDS O60760 1/20 0.45
RORC P51449 1/20 0.45

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
SCHEMBL9018429 0.92 NPC1 (0.51) LMNAP4HTMCA2CA9OPRM1
SCHEMBL9018444 0.91 SCN3A (0.50) SCN3AEPHX2ALDH1A1LMNAP4HTM
SCHEMBL9018204 0.90 NPC1 (0.46) EPHX2ALDH1A1P4HTMOPRM1OPRD1
SCHEMBL9018013 0.89 P4HTM (0.58) P4HTM
SCHEMBL9018251 0.89 MAPT (0.49) LMNAP4HTMOPRM1OPRD1OPRK1
SCHEMBL9018017 0.88 EGFR (0.45) EPHX2P4HTMCA12CA9OPRM1
SCHEMBL9018143 0.88 SCN3A (0.48) SCN3AEPHX2ALDH1A1LMNAP4HTM
SCHEMBL9018412 0.87 OPRM1 (0.48) SCN3AP4HTMOPRM1OPRD1OPRK1
SCHEMBL9018309 0.87 SCN3A (0.46) SCN3AEPHX2ALDH1A1LMNAP4HTM
SCHEMBL9018048 0.86 NPC1 (0.52) P4HTM

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