SCHEMBL7939377

SCHEMBL7939377

O=C1CC2CC(C(=O)O)CC(C1)N2S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.60
PSEN2 P49810 5/20 0.60
APH1B Q8WW43 5/20 0.60
NCSTN Q92542 5/20 0.60
APH1A Q96BI3 5/20 0.60
PSENEN Q9NZ42 5/20 0.60
ACHE P22303 1/20 0.44
HSD11B1 P28845 1/20 0.44
KMT2A Q03164 3/20 0.43
CNR1 P21554 1/20 0.43
MMP2 P08253 1/20 0.42
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
AKR1C3 P42330 1/20 0.40

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
SCHEMBL917131 0.81 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7939810 0.81 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL916819 0.81 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL916558 0.78 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8251036 0.78 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12441546 0.77 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL917773 0.77 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3260573 0.76 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL917521 0.76 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3068763 0.73 ACHE (0.69) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010028213-A2 N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 2010-03-11 WO disclosed