SCHEMBL4762983

SCHEMBL4762983

CC(C)C[CH]C(=O)N([C@H]1CCCNCC1=O)S(=O)(=O)c1cccs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 2/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
NR1H3 Q13133 1/20 0.33
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR6 P50406 1/20 0.32
PKM P14618 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL4831656 0.91 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4768508 0.83 EP300 (0.30)
SCHEMBL7424733 0.82 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7433037 0.81
SCHEMBL4761916 0.81 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6590944 0.81 PSEN1 (0.31) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7434320 0.81 KCNA5 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4907047 0.80
SCHEMBL6593527 0.80 RPLP1 (0.36)
SCHEMBL7426348 0.80 ALDH1A1 (0.36) ALDH1A1LMNANR1H3

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-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed