SCHEMBL9350706

SCHEMBL9350706

O=C1CCCCN1S(=O)(=O)c1ccc(N2CCCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.52
TP53 P04637 5/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 3/20 0.48
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
USP2 O75604 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HSP90AA1 P07900 1/20 0.44
CCR6 P51684 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RECQL P46063 1/20 0.43
ACHE P22303 1/20 0.43
PTGS2 P35354 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL9351906 1.00 AKR1C3 (0.52) AKR1C3TP53L3MBTL1LMNAMAPT
SCHEMBL9354611 1.00 AKR1C3 (0.52) AKR1C3TP53L3MBTL1LMNAMAPT
SCHEMBL9727563 0.97 AKR1C3 (0.56) AKR1C3TP53L3MBTL1LMNAMAPT
SCHEMBL9797182 0.97 AKR1C3 (0.56) AKR1C3TP53L3MBTL1LMNAMAPT
SCHEMBL9727320 0.85 PKM (0.51) AKR1C3TP53L3MBTL1LMNAMAPT
SCHEMBL9797671 0.84 TP53 (0.51) AKR1C3TP53L3MBTL1LMNAMAPT
SCHEMBL9797149 0.84 TP53 (0.51) AKR1C3TP53L3MBTL1LMNAMAPT
SCHEMBL9727348 0.84 LMNA (0.55) AKR1C3TP53L3MBTL1LMNAALDH1A1
SCHEMBL10879808 0.83 MMP2 (0.60) AKR1C3L3MBTL1LMNAMAPTMAPK1
SCHEMBL7094393 0.83 MMP2 (0.60) AKR1C3TP53L3MBTL1MAPTHTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0384843-B1 1-Arylsulfonyl-2-piperidinone derivatives, process and intermediates for their preparation, their pharmaceutical use and compositions containing them ROUSSEL UCLAF (FR) 1994-08-31 EP claimed
EP-0384843-A2 1-Arylsulfonyl-2-piperidinone derivatives, process and intermediates for their preparation, their pharmaceutical use and compositions containing them ROUSSEL-UCLAF (FR) 1990-08-29 EP claimed
EP-0384843-B1 1-Arylsulfonyl-2-piperidinone derivatives, process and intermediates for their preparation, their pharmaceutical use and compositions containing them ROUSSEL UCLAF (FR) 1994-08-31 EP disclosed
US-5041436-A 1-arylsulphonyl-2-piperidinone derivatives, process and intermediates for the preparation thereof, their application as antispasmodics and compositions containing them ROUSSEL UCLAF (FR) 1991-08-20 US disclosed
US-5037822-A Antispasmodic agent ROUSSEL-UCLAF (FR) 1991-08-06 US disclosed
EP-0384844-A2 1-Arylsulfonyl-pyrrolidine-2-thione or 1-arylsulfonyl-piperidine-2-thione derivatives, process for their preparation, their pharmaceutical use and compositions containing them ROUSSEL-UCLAF (FR) 1990-08-29 EP disclosed