SCHEMBL20159966

SCHEMBL20159966

CC(C)n1nc(Br)nc1Oc1cccc([S+](C)[O-])c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.36
PSEN2 P49810 4/20 0.36
APH1B Q8WW43 4/20 0.36
NCSTN Q92542 4/20 0.36
APH1A Q96BI3 4/20 0.36
PSENEN Q9NZ42 4/20 0.36
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE1C Q14123 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
SCHEMBL20138690 0.80 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20138672 0.80 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20159967 0.78 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20140248 0.77 F10 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20138683 0.71
SCHEMBL20138803 0.71 SCN4A (0.38)
SCHEMBL20142991 0.71 MAPT (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20138797 0.70 KDR (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20138682 0.69 PTGS2 (0.36)
SCHEMBL20142944 0.68 AR (0.33) 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-3538516-B1 PHENOXYTRIAZOLES HOFFMANN LA ROCHE (CH) 2021-06-16 EP disclosed
WO-2018087018-A1 PHENOXYTRIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2018-05-17 WO disclosed