SCHEMBL9018232

SCHEMBL9018232

COC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCc3ccccc3)cc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MCHR1 Q99705 1/20 0.49
MAPT P10636 4/20 0.48
P4HTM Q9NXG6 2/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
PPARA Q07869 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL9018029 0.97 MEN1 (0.50) NPC1RAB9ASMN1; SMN2MCHR1MAPT
SCHEMBL9018179 0.94 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MCHR1P4HTM
SCHEMBL9018225 0.93 HSP90AA1 (0.47) NPC1RAB9ASMN1; SMN2MAPTP4HTM
SCHEMBL9018507 0.93 NPC1 (0.47) NPC1RAB9ASMN1; SMN2MCHR1MAPT
SCHEMBL9018274 0.92 RAB9A (0.48) NPC1RAB9ASMN1; SMN2MAPTP4HTM
SCHEMBL9018429 0.92 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MCHR1MAPT
SCHEMBL9018132 0.91 RAB9A (0.54) NPC1RAB9ASMN1; SMN2MCHR1MAPT
SCHEMBL9017989 0.91 NPC1 (0.48) NPC1RAB9ASMN1; SMN2MCHR1MAPT
SCHEMBL9018282 0.91 RAB9A (0.53) NPC1RAB9ASMN1; SMN2MAPTP4HTM
SCHEMBL9018302 0.91 CA1 (0.50) NPC1RAB9ASMN1; SMN2P4HTMPPARA

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 3 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
EP-0562512-A1 Sulfonamido- and sulfonamidocarbonyl-pyridine-2-carboxamides and their pyridine-N-oxides, process for their preparation and their use as medicines HOECHST AKTIENGESELLSCHAFT (DE) 1993-09-29 EP disclosed