SCHEMBL9727326

SCHEMBL9727326

C[S+]([O-])c1ccc(S(=O)(=O)N2CCCC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
TP53 P04637 5/20 0.44
MMP2 P08253 2/20 0.41
AKR1C3 P42330 4/20 0.41
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7383735 0.81 MMP2 (0.64) GAATP53MMP2PKMMEN1
SCHEMBL7379601 0.78 MMP2 (0.64) GAATP53MMP2AKR1C3MEN1
SCHEMBL10702282 0.78 MMP2 (0.64) GAATP53MMP2AKR1C3PKM
SCHEMBL7380549 0.77 PKM (0.62) GAATP53MMP2AKR1C3PKM
SCHEMBL9727293 0.77 TP53 (0.59) GAATP53
SCHEMBL9727624 0.77 GAA (0.48) GAATP53MMP2AKR1C3MEN1
SCHEMBL9727536 0.77 TSHR (0.59) GAATP53MMP2AKR1C3KMT2A
SCHEMBL25348950 0.76 MMP2 (0.62) GAATP53MMP2PKMMEN1
SCHEMBL7094393 0.75 MMP2 (0.60) GAATP53MMP2AKR1C3PKM
SCHEMBL9727635 0.75 GAA (0.46) GAATP53MMP2AKR1C3PKM

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
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