SCHEMBL6205924

SCHEMBL6205924

NC(=O)[C@@H](C(=O)N(C1CCCNCC1=O)S(=O)(=O)c1ccccc1)C1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 6/20 0.32
PSEN2 P49810 6/20 0.32
APH1B Q8WW43 6/20 0.32
NCSTN Q92542 6/20 0.32
APH1A Q96BI3 6/20 0.32
PSENEN Q9NZ42 6/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PLAU P00749 1/20 0.32
HPN P05981 1/20 0.32
ESR1 P03372 1/20 0.31
NR1H3 Q13133 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL6072578 0.83 EPHX1 (0.31)
SCHEMBL6675008 0.83 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4761958 0.77 PSEN1 (0.31) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5770724 0.77 CTSK (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4763307 0.77 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6203389 0.74 ALDH1A1 (0.34) ALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL6609062 0.73 ALDH1A1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7538627 0.73 ALDH1A1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6205921 0.72 PSEN1 (0.30) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5105178 0.69 KCNA5 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A

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-1539178-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2005-06-15 EP disclosed
WO-2004017911-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-04 WO disclosed