SCHEMBL9053358

SCHEMBL9053358

COc1ccc(S(=O)(=O)N(C)c2ccc(F)cc2F)cc1-c1ccc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 1/20 0.40
CNR1 P21554 1/20 0.40
HTT P42858 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
BRD4 O60885 1/20 0.39
CDK2 P24941 1/20 0.39
KEAP1 Q14145 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
KDM4E B2RXH2 2/20 0.36
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35

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
SCHEMBL9115693 0.86 FFAR1 (0.46) ALDH1A1LMNANPSR1MAPTCNR1
SCHEMBL9054157 0.82 DRD2 (0.41) ALDH1A1LMNANPSR1KEAP1MCOLN3
SCHEMBL8544314 0.81 MAPT (0.54) ALDH1A1MAPTHTTCDK2KDM4E
SCHEMBL9053622 0.80 DRD2 (0.50) LMNAMAPTKDM4EDRD2DRD3
SCHEMBL9053039 0.78 PGR (0.51) ALDH1A1LMNAMAPTKEAP1KDM4E
SCHEMBL9051914 0.78 MAPT (0.42) ALDH1A1LMNAMAPTHTTKDM4E
SCHEMBL21494230 0.76 CDK2 (0.48) NPSR1MAPTCDK2
SCHEMBL8545748 0.75 ALDH1A1 (0.54) ALDH1A1LMNAMAPTKDM4EDRD2
SCHEMBL9053693 0.75 CYP11B1 (0.44) LMNAMAPTKDM4EDRD2DRD3
SCHEMBL9053598 0.75 SIRT2 (0.46) LMNAMAPTKDM4EDRD2DRD3

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