SCHEMBL23219068

SCHEMBL23219068

CCOC(=O)Cc1ccccc1OCc1coc2c(-c3cnn(C)c3)cc(Cl)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.41
CFD P00746 3/20 0.41
GPBAR1 Q8TDU6 1/20 0.35
SYK P43405 1/20 0.34
PDK2 Q15119 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
DHFR P00374 1/20 0.34
CYP1A2 P05177 1/20 0.34
XBP1 P17861 1/20 0.34
CYP2C19 P33261 1/20 0.34
CSF1R P07333 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 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
SCHEMBL29852450 1.00 TBXAS1 (0.41) TBXAS1CFDGPBAR1SYKPDK2
SCHEMBL23219212 0.85 CFD (0.51) TBXAS1CFDSYK
SCHEMBL29852536 0.85 CFD (0.51) TBXAS1CFDSYK
SCHEMBL29852344 0.83 TBXAS1 (0.37) TBXAS1CFDSYKPDK2DHFR
SCHEMBL23219197 0.83 TBXAS1 (0.37) TBXAS1CFDSYKPDK2DHFR
SCHEMBL23218778 0.83 CD274 (0.40) TBXAS1CFDALDH1A1MEN1KMT2A
SCHEMBL29853037 0.83 CD274 (0.40) TBXAS1CFDALDH1A1MEN1KMT2A
SCHEMBL23218456 0.81 CFD (0.51) TBXAS1CFDDHFR
SCHEMBL29852773 0.81 CFD (0.51) TBXAS1CFDDHFR
SCHEMBL23219098 0.80 TBXAS1 (0.40) TBXAS1CFDALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4041238-A1 ORAL COMPLEMENT FACTOR D INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-08-17 EP disclosed
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