SCHEMBL9053369

SCHEMBL9053369

CCN(Cc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(OC)c(-c2ccc[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.52
DRD3 P35462 5/20 0.52
TAS2R14 Q9NYV8 2/20 0.49
ALDH1A1 P00352 5/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PDE4A P27815 3/20 0.44
PDE4B Q07343 3/20 0.44
PDE4C Q08493 3/20 0.44
PDE4D Q08499 3/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL9052649 0.91 DRD2 (0.54) DRD2DRD3TAS2R14ALDH1A1LMNA
SCHEMBL8545748 0.89 ALDH1A1 (0.54) DRD2DRD3ALDH1A1LMNASMN1; SMN2
SCHEMBL8540116 0.82 L3MBTL1 (0.55) DRD2DRD3ALDH1A1SMN1; SMN2PDE4A
SCHEMBL9053373 0.78 DRD2 (0.50) DRD2DRD3ALDH1A1LMNAHTT
SCHEMBL8544314 0.78 MAPT (0.54) DRD2DRD3ALDH1A1HTTSMN1; SMN2
SCHEMBL9053438 0.78 SMN1; SMN2 (0.51) DRD2DRD3ALDH1A1LMNATSHR
SCHEMBL8544972 0.77 DRD2 (0.56) DRD2DRD3
SCHEMBL9049088 0.75 TAS2R14 (0.62) TAS2R14ALDH1A1LMNASMN1; SMN2PDE4A
SCHEMBL9053622 0.73 DRD2 (0.50) DRD2DRD3LMNASMN1; SMN2KDM4E
SCHEMBL7204676 0.72 ALDH1A1 (0.77) ALDH1A1LMNATSHRHTTSMN1; SMN2

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