SCHEMBL15949149

SCHEMBL15949149

COc1ccc(Cl)c(Oc2nc(Nc3ccc(-c4ccnc(C)c4)c(OC)c3)nn2C(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 6/20 0.42
PSEN2 P49810 6/20 0.42
APH1B Q8WW43 6/20 0.42
NCSTN Q92542 6/20 0.42
APH1A Q96BI3 6/20 0.42
PSENEN Q9NZ42 6/20 0.42
JAK2 O60674 1/20 0.41
SCN9A Q15858 1/20 0.40
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
BRD4 O60885 2/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 0.36
MKNK1 Q9BUB5 2/20 0.35
MKNK2 Q9HBH9 2/20 0.35
DYRK1A Q13627 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 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 SCHEMBL13835617 0.98 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13835574 0.92 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6915540 0.90 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13834936 0.86 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15949154 0.86 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15949157 0.84 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL13835495 0.82 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13834996 0.82 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15949244 0.81 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15949159 0.81 PSEN1 (0.58) 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