SCHEMBL15949154

SCHEMBL15949154

COc1cc(Nc2nc(Oc3c(C)cccc3Cl)n(C(C)C)n2)ccc1-c1ccnc(C)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 9/20 0.44
PSEN2 P49810 9/20 0.44
APH1B Q8WW43 9/20 0.44
NCSTN Q92542 9/20 0.44
APH1A Q96BI3 9/20 0.44
PSENEN Q9NZ42 9/20 0.44
SCN9A Q15858 4/20 0.41
JAK2 O60674 2/20 0.39
EGFR P00533 1/20 0.37
FGFR1 P11362 1/20 0.37
FLT3 P36888 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
RORC P51449 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
SCHEMBL15949157 0.93 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL13835495 0.91 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15949148 0.91 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6915540 0.91 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL13835202 0.90 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13834539 0.88 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13834936 0.87 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13835574 0.86 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15949149 0.86 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL13835617 0.84 PSEN1 (0.41) 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