SCHEMBL23217875

SCHEMBL23217875

CCOC(=O)Cc1ccccc1OCc1cc(-c2csc(/C(C)=N\S(=O)(=O)NC(C)(C)C)n2)c2occc2c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFD P00746 11/20 0.45
BAX Q07812 1/20 0.33
PIK3CA P42336 1/20 0.32
ALDH1A1 P00352 5/20 0.32
PKM P14618 1/20 0.32
MAPT P10636 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TBXAS1 P24557 1/20 0.31
GLA P06280 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL28772726 0.91 CFD (0.47) CFDBAXPIK3CAALDH1A1PKM
SCHEMBL23217874 0.87 CFD (0.45) CFDBAXALDH1A1PKMMAPT
SCHEMBL23217873 0.87 CFD (0.45) CFDBAXALDH1A1PKMMAPT
SCHEMBL23217613 0.86 CFD (0.53) CFDBAXALDH1A1PKMMAPT
SCHEMBL30009883 0.86 CFD (0.53) CFDBAXALDH1A1PKMMAPT
SCHEMBL28772701 0.85 CFD (0.46) CFDBAXPIK3CAALDH1A1PKM
SCHEMBL23241513 0.85 CFD (0.46) CFDBAXPIK3CAALDH1A1PKM
SCHEMBL28772692 0.83 CFD (0.56) CFD
SCHEMBL23217872 0.82 CFD (0.42) CFDALDH1A1PKMMAPTCYP2C9
SCHEMBL23217871 0.82 CFD (0.42) CFDALDH1A1PKMMAPTCYP2C9

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-2021072156-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed