SCHEMBL23219116

SCHEMBL23219116

CCOC(=O)Cc1ccccc1OCc1nn(C(C)C)c2ccc(-c3cccc(C(N)CO)c3)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 11/20 0.51
TPSB2 P20231 9/20 0.51
F11 P03951 9/20 0.51
TBXAS1 P24557 1/20 0.37
ICMT O60725 6/20 0.36
PLG P00747 2/20 0.34
PLAU P00749 2/20 0.34
KLKB1 P03952 2/20 0.34
F7 P08709 2/20 0.34
DHFR P00374 1/20 0.33
F2 P00734 1/20 0.33
F9 P00740 1/20 0.33
F10 P00742 1/20 0.33
PLAT P00750 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC18A2 Q05940 1/20 0.33
PDE4D Q08499 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL29852748 1.00 CFD (0.51) CFDTPSB2F11TBXAS1ICMT
SCHEMBL23229109 1.00 CFD (0.51) CFDTPSB2F11TBXAS1ICMT
SCHEMBL29852710 0.94 CFD (0.51) CFDTPSB2F11TBXAS1ICMT
SCHEMBL29852728 0.94 CFD (0.51) CFDTPSB2F11TBXAS1ICMT
SCHEMBL23229271 0.94 CFD (0.51) CFDTPSB2F11TBXAS1ICMT
SCHEMBL23219140 0.90 CFD (0.63) CFDTPSB2F11PLGPLAU
SCHEMBL29852900 0.90 CFD (0.63) CFDTPSB2F11PLGPLAU
SCHEMBL23219186 0.90 CFD (0.63) CFDTPSB2F11PLGPLAU
SCHEMBL23218752 0.89 CFD (0.49) CFDTPSB2F11TBXAS1ICMT
SCHEMBL29852706 0.89 CFD (0.49) CFDTPSB2F11TBXAS1ICMT

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