SCHEMBL7795864

SCHEMBL7795864

COc1cccc(-n2nc3c(Nc4ccc(-n5cnc(C)c5)c(O)c4)cccc3c2C)c1

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 0.84
PSEN2 P49810 20/20 0.84
APH1B Q8WW43 20/20 0.84
NCSTN Q92542 20/20 0.84
APH1A Q96BI3 20/20 0.84
PSENEN Q9NZ42 20/20 0.84
KCNH2 Q12809 1/20 0.44

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
SCHEMBL2118790 0.91 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2625743 0.91 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7802516 0.83 PSEN1 (0.84) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2118801 0.78 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2625745 0.78 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2118786 0.76 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2625742 0.75 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2118548 0.74 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7799059 0.73 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2116247 0.72 PSEN1 (0.56) 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
WO-2010145883-A1 NOVEL SUBSTITUTED INDAZOLE AND AZA-INDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-12-23 WO disclosed