SCHEMBL23217685

SCHEMBL23217685

CCOC(=O)Cc1ccccc1OCc1cc(Br)c2occc2c1OCc1ccn(C)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.41
CFD P00746 2/20 0.39
GRM2 Q14416 1/20 0.34
DUSP3 P51452 1/20 0.34
PTPN5 P54829 1/20 0.34
PTPN11 Q06124 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TP53 P04637 1/20 0.32
KCNA2 P16389 1/20 0.32
KCNA5 P22460 1/20 0.32
KCNA1 Q09470 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNA3 P22001 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
JMJD6 Q6NYC1 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
SCHEMBL30010252 1.00 TBXAS1 (0.41) TBXAS1CFDGRM2DUSP3PTPN5
SCHEMBL23217835 0.86 CFD (0.39) TBXAS1CFDDUSP3PTPN5PTPN11
SCHEMBL30010173 0.86 CFD (0.39) TBXAS1CFDDUSP3PTPN5PTPN11
SCHEMBL30009755 0.85 CFD (0.51) TBXAS1CFDGRM2
SCHEMBL23217854 0.85 CFD (0.51) TBXAS1CFDGRM2
SCHEMBL23217842 0.84 KCNA3 (0.41) TBXAS1DUSP3PTPN5PTPN11CTDSP1
SCHEMBL30010388 0.84 KCNA3 (0.41) TBXAS1DUSP3PTPN5PTPN11CTDSP1
SCHEMBL23217528 0.84 TBXAS1 (0.41) TBXAS1CFDDUSP3PTPN5PTPN11
SCHEMBL29672939 0.84 TBXAS1 (0.41) TBXAS1CFDDUSP3PTPN5PTPN11
SCHEMBL30009850 0.84 TBXAS1 (0.41) TBXAS1CFDDUSP3PTPN5PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114555570-A Oral complement factor D inhibitors 拜奥克里斯特制药公司 2022-05-27 CN disclosed
WO-2021072156-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed