SCHEMBL23219144

SCHEMBL23219144

CCC(C(=O)O)c1ccccc1OCc1coc2c(-c3ccc(CN4CCN(C)CC4)cc3)cc(-c3cccc(CN)c3)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.37
CD274 Q9NZQ7 4/20 0.36
PDCD1 Q15116 1/20 0.36
PLAU P00749 2/20 0.36
PLG P00747 1/20 0.36
F11 P03951 1/20 0.36
KLKB1 P03952 1/20 0.36
F7 P08709 1/20 0.36
TPSB2 P20231 1/20 0.36
TNIK Q9UKE5 4/20 0.36
SUCNR1 Q9BXA5 1/20 0.35
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
HDAC1 Q13547 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
MELK Q14680 1/20 0.34
MAP3K11 Q16584 1/20 0.33
NPC1 O15118 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
SCHEMBL29852973 0.87 CFD (0.51) CFDCD274PLAUPLGF11
SCHEMBL23218519 0.87 CFD (0.51) CFDCD274PLAUPLGF11
SCHEMBL29853135 0.85 CFD (0.45) CFDCD274PDCD1PLAUPLG
SCHEMBL23218836 0.85 CFD (0.45) CFDCD274PDCD1PLAUPLG
SCHEMBL29852753 0.78 CFD (0.56) CFDPLAUPLGF11KLKB1
SCHEMBL23218338 0.78 CFD (0.56) CFDPLAUPLGF11KLKB1
SCHEMBL29852754 0.76 CFD (0.48) CFDCD274PDCD1PLAUPLG
SCHEMBL23218099 0.76 CFD (0.48) CFDCD274PDCD1PLAUPLG
SCHEMBL23218900 0.74 CFD (0.66) CFDPLAUPLGF11KLKB1
SCHEMBL29591366 0.74 CFD (0.66) CFDPLAUPLGF11KLKB1

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-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed