SCHEMBL4784067

SCHEMBL4784067

COC(CCCn1ccnn1)c1ccc(OCc2ccc(-c3ccc(Cl)nc3)nc2C)cc1C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
ATP4A P20648 1/20 0.31
ATP4B P51164 1/20 0.31

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
SCHEMBL4730017 0.91 PSEN1 (0.34) PPARDPSEN1PSEN2APH1BNCSTN
SCHEMBL4726101 0.89 TRPV3 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4780947 0.85 ATP4A (0.34) PPARDATP4AATP4B
SCHEMBL4730015 0.81 PPARD (0.34) PPARDATP4AATP4B
SCHEMBL4726900 0.80 ERBB2 (0.41) ATP4AATP4B
SCHEMBL4728989 0.80 TRPV3 (0.34) PPARDPSEN1PSEN2APH1BNCSTN
SCHEMBL4730718 0.78 GRM2 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4599860 0.76 ATP4A (0.37) PPARDPSEN1PSEN2APH1BNCSTN
SCHEMBL4728357 0.73 ERBB2 (0.37) PPARDATP4AATP4B
SCHEMBL4591853 0.72 ATP4A (0.37) PPARDATP4AATP4B

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-2008034579-A1 2-HETEROCYCLYL-5-PHENOXYMETHYLPYRIDINE DERIVATIVES AS ANTICANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-27 WO disclosed