SCHEMBL15214166

SCHEMBL15214166

CCCC(c1cc(F)c(C)c(F)c1)n1cc(Cl)cc(C(=O)c2ccc(-n3cnc(C)c3)c(C)c2)c1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F11 P03951 3/20 0.35
KLKB1 P03952 3/20 0.35
PSEN1 P49768 14/20 0.34
PSEN2 P49810 13/20 0.34
APH1B Q8WW43 13/20 0.34
NCSTN Q92542 13/20 0.34
APH1A Q96BI3 13/20 0.34
PSENEN Q9NZ42 13/20 0.34
USP30 Q70CQ3 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
HPD P32754 1/20 0.31

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
SCHEMBL12712848 0.95 PSEN1 (0.35) F11KLKB1PSEN1PSEN2APH1B
SCHEMBL15214167 0.91 PSEN1 (0.34) F11KLKB1PSEN1PSEN2APH1B
SCHEMBL15214168 0.89 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12712847 0.86 PSEN1 (0.35) F11KLKB1PSEN1PSEN2APH1B
SCHEMBL8080412 0.86 PSEN1 (0.46) F11KLKB1PSEN1PSEN2APH1B
SCHEMBL12712856 0.84 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15214165 0.83 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15214175 0.82 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15214162 0.80 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12712837 0.79 PSEN1 (0.40) 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
US-8518975-B2 Gamma secretase modulators Merck Sharp + Dohme Corp. (US) 2013-08-27 US disclosed