SCHEMBL7918446

SCHEMBL7918446

Cc1cn(-c2ccc(NC(=N)/N=C\NCc3ccccc3)cc2N)cn1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 16/20 0.38
PSEN2 P49810 16/20 0.38
APH1B Q8WW43 16/20 0.38
NCSTN Q92542 16/20 0.38
APH1A Q96BI3 16/20 0.38
PSENEN Q9NZ42 16/20 0.38
NR2E1 Q9Y466 2/20 0.36
KCNH2 Q12809 2/20 0.35
EP300 Q09472 1/20 0.33

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
SCHEMBL7919203 0.82 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7922094 0.67 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7917420 0.67 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1726560 0.64 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27819262 0.63 GAA (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7095231 0.63 PTGDR2 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5235675 0.63 PTGDR2 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21286134 0.61 NR2E1 (0.68) NR2E1EP300
Nitric Acid SCHEMBL1617375 0.61 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
Nitric Acid SCHEMBL1617372 0.61 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
WO-2010052199-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-14 WO disclosed