SCHEMBL23217874

SCHEMBL23217874

CCOC(=O)Cc1ccccc1OCc1cc(-c2csc(C=NS(=O)(=O)NC(C)(C)C)n2)c2occc2c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CFD P00746 11/20 0.45
BAX Q07812 1/20 0.32
ALDH1A1 P00352 3/20 0.32
PKM P14618 1/20 0.32
MAPT P10636 2/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TBXAS1 P24557 1/20 0.31
LMNA P02545 1/20 0.31
NPC1 O15118 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL23217873 1.00 CFD (0.45) CFDBAXALDH1A1PKMMAPT
SCHEMBL28943913 0.93 CFD (0.46) CFDBAXALDH1A1PKMMAPT
SCHEMBL23217871 0.89 CFD (0.42) CFDALDH1A1PKMMAPTCYP2C9
SCHEMBL23217872 0.89 CFD (0.42) CFDALDH1A1PKMMAPTCYP2C9
SCHEMBL23217875 0.87 CFD (0.45) CFDBAXALDH1A1PKMMAPT
SCHEMBL29672942 0.87 CFD (0.53) CFDBAXALDH1A1PKMMAPT
SCHEMBL30010424 0.87 CFD (0.53) CFDBAXALDH1A1PKMMAPT
SCHEMBL23217192 0.87 CFD (0.53) CFDBAXALDH1A1PKMMAPT
SCHEMBL23217894 0.86 CFD (0.51) CFDTBXAS1
SCHEMBL23217893 0.86 CFD (0.51) CFDTBXAS1

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