SCHEMBL14036786

SCHEMBL14036786

Cc1cn(-c2ccc(N/C(=N/C#N)Oc3ccccc3)cc2F)cn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 15/20 0.41
PSEN2 P49810 15/20 0.41
APH1B Q8WW43 15/20 0.41
NCSTN Q92542 15/20 0.41
APH1A Q96BI3 15/20 0.41
PSENEN Q9NZ42 15/20 0.41
USP30 Q70CQ3 1/20 0.37
KCNH2 Q12809 1/20 0.34
GPR142 Q7Z601 1/20 0.34
NR2E1 Q9Y466 2/20 0.34
LDLR P01130 1/20 0.34
KIT P10721 1/20 0.34
PCSK9 Q8NBP7 1/20 0.34

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
SCHEMBL14257623 0.78 RAB9A (0.44)
SCHEMBL2253468 0.78 RAB9A (0.44)
SCHEMBL2253462 0.78 RAB9A (0.44)
SCHEMBL14257490 0.77 KMT2A (0.37)
SCHEMBL929052 0.74 NPC1 (0.48)
SCHEMBL929051 0.74 NPC1 (0.48)
SCHEMBL4987913 0.72 NPY2R (0.44)
SCHEMBL4987906 0.72 NPY2R (0.44)
SCHEMBL14036792 0.72 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30411025 0.72 NOTUM (0.47)

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-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 WO disclosed