SCHEMBL23219197

SCHEMBL23219197

CCOC(=O)Cc1ccccc1OCc1c(C(=O)OC(C)(C)C)oc2c(-c3cnn(C)c3)cc(Cl)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.37
CFD P00746 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.35
TTK P33981 1/20 0.33
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33
P2RX3 P56373 1/20 0.32
DHFR P00374 1/20 0.32
PDK2 Q15119 5/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SYK P43405 1/20 0.31
DRD1 P21728 1/20 0.31
RET P07949 1/20 0.31
POLB P06746 1/20 0.30
FGFR1 P11362 1/20 0.30
FGFR2 P21802 1/20 0.30

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
SCHEMBL29852344 1.00 TBXAS1 (0.37) TBXAS1CFDL3MBTL1TTKSLC16A3
SCHEMBL29852507 0.87 CFD (0.46) TBXAS1CFDL3MBTL1SYK
SCHEMBL29592602 0.87 CFD (0.46) TBXAS1CFDL3MBTL1SYK
SCHEMBL23218209 0.87 CFD (0.46) TBXAS1CFDL3MBTL1SYK
SCHEMBL29852450 0.83 TBXAS1 (0.41) TBXAS1CFDL3MBTL1SLC16A3SLC16A1
SCHEMBL23219068 0.83 TBXAS1 (0.41) TBXAS1CFDL3MBTL1SLC16A3SLC16A1
SCHEMBL23219204 0.83 L3MBTL1 (0.36) TBXAS1CFDL3MBTL1DHFR
SCHEMBL28736110 0.78 CFD (0.40) TBXAS1CFDL3MBTL1PDK2SYK
SCHEMBL23218969 0.76 CFD (0.47) CFDL3MBTL1
SCHEMBL29592635 0.76 CFD (0.47) CFDL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114502168-A Oral complement factor D inhibitors 拜奥克里斯特制药公司 2022-05-13 CN disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed