SCHEMBL2169915

SCHEMBL2169915

CCOC(=O)C1CC2CC(=O)CC(C1)N2S(=O)(=O)c1ccc(Cl)cc1.CCOC(=O)C1CC2CC3OC3C(C1)N2

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 6/20 0.53
PSEN2 P49810 6/20 0.53
APH1B Q8WW43 6/20 0.53
NCSTN Q92542 6/20 0.53
APH1A Q96BI3 6/20 0.53
PSENEN Q9NZ42 6/20 0.53
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 5/20 0.39
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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 0.85 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL917091 0.71 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL917089 0.71 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7933683 0.71 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2170017 0.71 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12904508 0.70 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL917129 0.69 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7939377 0.69 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3070280 0.67 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2184059 0.67 PSEN1 (0.70) 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
EP-2346863-A2 N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS Elan Pharmaceuticals Inc. (US) 2011-07-27 EP disclosed