SCHEMBL9727635

SCHEMBL9727635

CC(C)N(c1ccc(S(=O)(=O)N2CCCC2=O)cc1)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
TP53 P04637 5/20 0.43
MMP2 P08253 1/20 0.41
AKR1C3 P42330 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PKM P14618 1/20 0.38

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
SCHEMBL9727624 0.85 GAA (0.48) GAATP53MMP2AKR1C3MEN1
SCHEMBL9799573 0.82 TP53 (0.46) GAATP53MMP2AKR1C3MEN1
SCHEMBL9658919 0.81 GAA (0.44) GAATP53MMP2AKR1C3MEN1
SCHEMBL9350725 0.81 GAA (0.43) GAATP53MMP2AKR1C3MEN1
SCHEMBL9727670 0.80 TP53 (0.41) GAATP53AKR1C3MEN1KMT2A
SCHEMBL7383735 0.80 MMP2 (0.64) GAATP53MMP2MEN1KMT2A
SCHEMBL9727557 0.78 GAA (0.44) GAATP53MMP2AKR1C3
SCHEMBL9727409 0.78 TP53 (0.48) GAATP53MMP2MEN1KMT2A
SCHEMBL9354590 0.78 TP53 (0.42) GAATP53MMP2AKR1C3MEN1
SCHEMBL9350861 0.77 MEN1 (0.46) GAATP53MMP2AKR1C3MEN1

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