SCHEMBL6234462

SCHEMBL6234462

COc1ccc(S(=O)(=O)NC2CCCCC2)cc1N1CCNCC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.62
PDE4B Q07343 1/20 0.62
PDE4C Q08493 1/20 0.62
PDE4D Q08499 1/20 0.62
GAA P10253 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
POLB P06746 2/20 0.61
ALDH1A1 P00352 2/20 0.61
KMT2A Q03164 1/20 0.61
HTR6 P50406 11/20 0.61
NPC1 O15118 1/20 0.58
HPGD P15428 1/20 0.58
HTT P42858 1/20 0.58
TP53 P04637 1/20 0.58
PKM P14618 1/20 0.58
ALOX15 P16050 1/20 0.58

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
SCHEMBL6235673 1.00 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DGAA
Hydrochloric Acid SCHEMBL6237229 0.99 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL6237285 0.99 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL6235886 0.90 HTR6 (0.60) HTR6
SCHEMBL6236589 0.89 HTR6 (0.56) HTR6
SCHEMBL6233388 0.87 HTR6 (0.57) HTR6
SCHEMBL6234179 0.86 ALDH1A1 (0.60) ALDH1A1HTR6TP53
SCHEMBL6235655 0.86 HTR6 (0.63) HTR6
SCHEMBL6234987 0.85 HTR6 (0.58) HTR6
SCHEMBL6238497 0.85 HTR6 (0.58) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1049679-B1 SULPHONAMIDE DERIVATIVES FOR TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 2005-06-01 EP claimed
US-6548504-B1 Compounds SMITHKLINE BEECHAM P.L.C. (GB) 2003-04-15 US claimed
EP-1049679-A2 SULPHONAMIDE DERIVATIVES FOR TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 2000-11-08 EP claimed
WO-1999037623-A2 SULPHONAMIDE DERIVATIVES FOR TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 1999-07-29 WO claimed
EP-1049679-B1 SULPHONAMIDE DERIVATIVES FOR TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 2005-06-01 EP disclosed
US-6548504-B1 Compounds SMITHKLINE BEECHAM P.L.C. (GB) 2003-04-15 US disclosed
EP-1049679-A2 SULPHONAMIDE DERIVATIVES FOR TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 2000-11-08 EP disclosed
WO-1999037623-A2 SULPHONAMIDE DERIVATIVES FOR TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 1999-07-29 WO disclosed