SCHEMBL9053598

SCHEMBL9053598

COc1ccc(S(=O)(=O)N(C)c2ccc(C#N)cc2)cc1-c1ccc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 7/20 0.46
BRPF1 P55201 3/20 0.43
NR1H3 Q13133 2/20 0.43
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
ACLY P53396 1/20 0.41
BRD1 O95696 1/20 0.41
PGR P06401 2/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL9053039 0.87 PGR (0.51) DRD2DRD3PGRMAPTKDM4E
SCHEMBL9053622 0.87 DRD2 (0.50) DRD2DRD3PGRMAPTKDM4E
SCHEMBL9115693 0.86 FFAR1 (0.46) DRD2DRD3PGRMAPTKDM4E
SCHEMBL9051914 0.86 MAPT (0.42) SIRT2DRD2DRD3PGRMAPT
SCHEMBL8544314 0.81 MAPT (0.54) DRD2DRD3MAPTKDM4ESMN1; SMN2
SCHEMBL9053693 0.79 CYP11B1 (0.44) DRD2DRD3MAPTKDM4ELMNA
SCHEMBL9053185 0.78 MAPT (0.50) DRD2DRD3PGRMAPTKDM4E
SCHEMBL9054157 0.78 DRD2 (0.41) DRD2DRD3LMNA
SCHEMBL8545748 0.75 ALDH1A1 (0.54) DRD2DRD3MAPTKDM4ELMNA
SCHEMBL9053358 0.75 PSEN1 (0.43) DRD2DRD3MAPTKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0734378-A1 AMINOSULPHONYL-PHENYL-1H-PYRROLE DERIVATIVES, METHOD OF THEIR PREPARATION AND THEIR USE SMITHKLINE BEECHAM PLC (GB) 1996-10-02 EP disclosed
WO-1995016674-A1 AMINOSULPHONYL-PHENYL-1H-PYRROLE DERIVATIVES, METHOD OF THEIR PREPARATION AND THEIR USE SMITHKLINE BEECHAM PLC (GB) 1995-06-22 WO disclosed