SCHEMBL7938296

SCHEMBL7938296

O=S(=O)(c1ccc(C(F)(F)F)cc1)N1C2Cc3n[nH]cc3[C@]23Cc2ccccc2C13

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 14/20 0.39
PSEN2 P49810 14/20 0.39
APH1B Q8WW43 14/20 0.39
NCSTN Q92542 14/20 0.39
APH1A Q96BI3 14/20 0.39
PSENEN Q9NZ42 14/20 0.39
MMP8 P22894 4/20 0.38
MMP3 P08254 2/20 0.38
AKR1C3 P42330 1/20 0.34

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
SCHEMBL7935781 0.79 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7943037 0.76 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3137081 0.74 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13080724 0.74 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7938623 0.73 MMP8 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13080718 0.72 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3150067 0.72 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13080841 0.67 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13080813 0.65 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2194912 0.65 PSEN1 (0.48) 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