SCHEMBL9727348

SCHEMBL9727348

O=C1CCCN1S(=O)(=O)c1ccc(N2CCNCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HTR6 P50406 7/20 0.52
DRD3 P35462 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
TP53 P04637 5/20 0.48
AKR1C3 P42330 2/20 0.46
ADRB1 P08588 3/20 0.44
SIRT6 Q8N6T7 1/20 0.44
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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 0.87 AKR1C3 (0.56) LMNAL3MBTL1TP53AKR1C3
SCHEMBL9727563 0.87 AKR1C3 (0.56) LMNAL3MBTL1TP53AKR1C3
SCHEMBL9727320 0.84 PKM (0.51) LMNAKDM4EALDH1A1L3MBTL1TP53
SCHEMBL9350706 0.84 AKR1C3 (0.52) LMNAALDH1A1L3MBTL1TP53AKR1C3
SCHEMBL9351906 0.84 AKR1C3 (0.52) LMNAALDH1A1L3MBTL1TP53AKR1C3
SCHEMBL9354611 0.84 AKR1C3 (0.52) LMNAALDH1A1L3MBTL1TP53AKR1C3
SCHEMBL2836378 0.77 MAPT (0.67) LMNAKDM4EALDH1A1HTR6AKR1C3
SCHEMBL31322362 0.76 MAPT (0.65) LMNAKDM4EALDH1A1HTR6AKR1C3
SCHEMBL10702282 0.75 MMP2 (0.64) TP53AKR1C3
SCHEMBL7383735 0.75 MMP2 (0.64) LMNAALDH1A1L3MBTL1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-4990531-A Antispasmodic agents ROUSSEL UCLAF (FR) 1991-02-05 US 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