SCHEMBL5597580

SCHEMBL5597580

C=C1CC2CCC(C1)C2NS(=O)(=O)c1cccc(C)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 10/20 0.54
PSEN2 P49810 10/20 0.54
APH1B Q8WW43 10/20 0.54
NCSTN Q92542 10/20 0.54
APH1A Q96BI3 10/20 0.54
PSENEN Q9NZ42 10/20 0.54
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.42
BRD4 O60885 1/20 0.41
BRD2 P25440 1/20 0.41
BRD3 Q15059 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
FBP1 P09467 2/20 0.40
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL5074440 0.84 PSEN1 (0.76) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5597584 0.84 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5069769 0.83 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5070737 0.83 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11992039 0.76 ALDH1A1 (0.63) KMT2ABRD4BRD2BRD3ALDH1A1
SCHEMBL5071699 0.74 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5074370 0.74 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5070816 0.74 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5070761 0.74 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8015470 0.73 ALDH1A1 (0.67) KMT2AALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268412-B8 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME (GB) 2007-02-21 EP disclosed
EP-1268412-A1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 2003-01-02 EP disclosed
WO-2001070677-A1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 2001-09-27 WO disclosed