SCHEMBL23219205

SCHEMBL23219205

CCOC(=O)Cc1ccccc1OCc1nn(C(C)C)c2ccc(-c3cc(Cl)cc(C#N)c3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.41
TBXAS1 P24557 1/20 0.35
DHFR P00374 1/20 0.35
MAPK1 P28482 2/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PPARD Q03181 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HTT P42858 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
PGGT1B P53609 1/20 0.32
LMNA P02545 2/20 0.31
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL29852724 1.00 CFD (0.41) CFDTBXAS1DHFRMAPK1KDM4E
SCHEMBL29121929 0.90 CFD (0.40) CFDTBXAS1MAPK1KDM4EALDH1A1
SCHEMBL29852769 0.89 CFD (0.39) CFDTBXAS1MAPK1KDM4EALDH1A1
SCHEMBL23218498 0.89 CFD (0.39) CFDTBXAS1MAPK1KDM4EALDH1A1
SCHEMBL23219128 0.86 CFD (0.37) CFDTBXAS1MAPK1PPARDHSD17B10
SCHEMBL23218774 0.86 CFD (0.37) CFDTBXAS1MAPK1KDM4EALDH1A1
SCHEMBL29852523 0.86 CFD (0.37) CFDTBXAS1MAPK1PPARDHSD17B10
SCHEMBL29853146 0.86 CFD (0.37) CFDTBXAS1MAPK1KDM4EALDH1A1
SCHEMBL23218596 0.85 CFD (0.37) CFDTBXAS1MAPK1PPARDHSD17B10
SCHEMBL29852582 0.85 CFD (0.37) CFDTBXAS1MAPK1PPARDHSD17B10

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