SCHEMBL9727563

SCHEMBL9727563

O=C1CCCN1S(=O)(=O)c1ccc(N2CCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.56
L3MBTL1 Q9Y468 1/20 0.52
TP53 P04637 6/20 0.51
LMNA P02545 2/20 0.49
MAPT P10636 1/20 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
GAA P10253 1/20 0.44

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
SCHEMBL9797182 1.00 AKR1C3 (0.56) AKR1C3L3MBTL1TP53LMNAMAPT
SCHEMBL9354611 0.97 AKR1C3 (0.52) AKR1C3L3MBTL1TP53LMNAMAPT
SCHEMBL9350706 0.97 AKR1C3 (0.52) AKR1C3L3MBTL1TP53LMNAMAPT
SCHEMBL9351906 0.97 AKR1C3 (0.52) AKR1C3L3MBTL1TP53LMNAMAPT
SCHEMBL9727320 0.88 PKM (0.51) AKR1C3L3MBTL1TP53LMNAMAPT
SCHEMBL9727348 0.87 LMNA (0.55) AKR1C3L3MBTL1TP53LMNA
SCHEMBL9797786 0.84 TP53 (0.51) AKR1C3L3MBTL1TP53LMNAMAPT
SCHEMBL9797567 0.84 TP53 (0.51) AKR1C3L3MBTL1TP53LMNAMAPT
SCHEMBL9797149 0.81 TP53 (0.51) AKR1C3L3MBTL1TP53LMNAMAPT
SCHEMBL9797671 0.81 TP53 (0.51) AKR1C3L3MBTL1TP53LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5164514-A Antispasmodics ROUSSEL UCLAF (FR) 1992-11-17 US claimed
US-5081130-A Antispasmodic agents ROUSSEL UCLAF (FR) 1992-01-14 US claimed
EP-0335758-A2 Derivatives of 1-arylsulfonyl-2-pyrolidinone, process for their preparation, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1989-10-04 EP claimed
US-5164514-A Antispasmodics ROUSSEL UCLAF (FR) 1992-11-17 US disclosed
US-5081130-A Antispasmodic agents ROUSSEL UCLAF (FR) 1992-01-14 US disclosed
US-5037822-A Antispasmodic agent ROUSSEL-UCLAF (FR) 1991-08-06 US disclosed
US-4990531-A Antispasmodic agents ROUSSEL UCLAF (FR) 1991-02-05 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
EP-0335758-A2 Derivatives of 1-arylsulfonyl-2-pyrolidinone, process for their preparation, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1989-10-04 EP disclosed