SCHEMBL9727624

SCHEMBL9727624

CN(C)c1ccc(S(=O)(=O)N2CCCC2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
TP53 P04637 5/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MMP2 P08253 1/20 0.42
AKR1C3 P42330 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL9350725 0.95 GAA (0.43) GAATP53MEN1KMT2AMMP2
SCHEMBL9727635 0.85 GAA (0.46) GAATP53MEN1KMT2AMMP2
SCHEMBL9658919 0.84 GAA (0.44) GAATP53MEN1KMT2AMMP2
SCHEMBL7383735 0.82 MMP2 (0.64) GAATP53MEN1KMT2AMMP2
SCHEMBL9799573 0.81 TP53 (0.46) GAATP53MEN1KMT2AMMP2
SCHEMBL9350861 0.80 MEN1 (0.46) GAATP53MEN1KMT2AMMP2
SCHEMBL9727670 0.79 TP53 (0.41) GAATP53MEN1KMT2AAKR1C3
SCHEMBL10702282 0.79 MMP2 (0.64) GAATP53KMT2AMMP2AKR1C3
SCHEMBL7379601 0.79 MMP2 (0.64) GAATP53MEN1KMT2AMMP2
SCHEMBL7380549 0.78 PKM (0.62) GAATP53MEN1KMT2AMMP2

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

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