SCHEMBL9053174

SCHEMBL9053174

COc1ccc(S(=O)(=O)Nc2ccccc2)cc1-c1ccc[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.64
CA9 Q16790 1/20 0.64
HTT P42858 5/20 0.52
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
LMNA P02545 4/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MAPT P10636 3/20 0.49
PKM P14618 2/20 0.49
MAPK1 P28482 2/20 0.49
TSHR P16473 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
GPR27 Q9NS67 2/20 0.46
AVPR2 P30518 1/20 0.46
ALOX15 P16050 1/20 0.45

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
SCHEMBL8540314 0.82 POLB (0.47) CA12CA9DRD2DRD3ALDH1A1
SCHEMBL8846873 0.80 DRD2 (0.49) CA12CA9HTTDRD2DRD3
SCHEMBL8752463 0.79 CA12 (1.00) CA12CA9HTTLMNAALDH1A1
SCHEMBL8544972 0.78 DRD2 (0.56) DRD2DRD3
SCHEMBL8542006 0.78 DRD2 (0.50) DRD2DRD3ALDH1A1CYP1A2CYP3A4
SCHEMBL9053622 0.77 DRD2 (0.50) CA12CA9DRD2DRD3LMNA
SCHEMBL8543692 0.77 DRD2 (0.45) DRD2DRD3MAPK1TSHR
SCHEMBL8544314 0.77 MAPT (0.54) HTTDRD2DRD3ALDH1A1MEN1
SCHEMBL9053373 0.75 DRD2 (0.50) HTTDRD2DRD3LMNAALDH1A1
SCHEMBL22095988 0.75 CA12 (0.76) CA12CA9HTTLMNAALDH1A1

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