SCHEMBL15949219

SCHEMBL15949219

COc1cc(Nc2nc(Oc3cc(C(F)(F)F)ccc3F)n(C(C)C)n2)ccc1-c1ccnc(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 9/20 0.52
PSEN2 P49810 9/20 0.52
APH1B Q8WW43 9/20 0.52
NCSTN Q92542 9/20 0.52
APH1A Q96BI3 9/20 0.52
PSENEN Q9NZ42 9/20 0.52
ALOX5AP P20292 3/20 0.40
FEN1 P39748 3/20 0.40
TNIK Q9UKE5 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
PTK2 Q05397 1/20 0.39
KCNH2 Q12809 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
PLK1 P53350 1/20 0.36
SCN9A Q15858 1/20 0.36
PIK3CA P42336 1/20 0.36
GSK3B P49841 1/20 0.36
MET P08581 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
Hydrochloric Acid SCHEMBL13834860 0.99 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13835493 0.90 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15949159 0.89 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13835469 0.85 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15949169 0.85 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL13835573 0.84 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13835792 0.84 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13834996 0.83 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15949148 0.83 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13835436 0.82 PSEN1 (0.51) 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-2523949-B1 NOVEL SUBSTITUTED TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2014-08-20 EP disclosed