SCHEMBL7933752

SCHEMBL7933752

COc1cc(Cc2ncc(CN(Cc3cccc(Cl)c3)C3CCNC3=O)[nH]2)ccc1C#N

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 8/20 0.39
PSEN2 P49810 8/20 0.39
APH1B Q8WW43 8/20 0.39
NCSTN Q92542 8/20 0.39
APH1A Q96BI3 8/20 0.39
PSENEN Q9NZ42 8/20 0.39
IDH1 O75874 6/20 0.34
LTC4S Q16873 1/20 0.34
EGFR P00533 1/20 0.34
PGR P06401 1/20 0.33
KCNJ1 P48048 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
BRS3 P32247 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
SCHEMBL7933783 0.91 FNTA (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7936786 0.89 DAO (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7933816 0.88 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7939460 0.85 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7936751 0.81 FNTA (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL7927499 0.81 NR3C1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7937371 0.78 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL7935741 0.76 FNTA (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7927530 0.75 BRS3 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7937436 0.75 PSEN1 (0.39) 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-2001017992-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed