SCHEMBL23217872

SCHEMBL23217872

CCOC(=O)Cc1ccccc1OCc1cc(-c2nc(C=NS(=O)(=O)NC(C)(C)C)cs2)c2occc2c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CFD P00746 11/20 0.42
ALDH1A1 P00352 2/20 0.32
PKM P14618 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TBXAS1 P24557 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
SYK P43405 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL23217871 1.00 CFD (0.42) CFDALDH1A1PKMCYP2C9CYP2C19
SCHEMBL28943906 0.92 CFD (0.43) CFDALDH1A1PKMCYP2C9CYP2C19
SCHEMBL23217873 0.89 CFD (0.45) CFDALDH1A1PKMCYP2C9CYP2C19
SCHEMBL23217874 0.89 CFD (0.45) CFDALDH1A1PKMCYP2C9CYP2C19
SCHEMBL23217894 0.86 CFD (0.51) CFDTBXAS1SYK
SCHEMBL23217893 0.86 CFD (0.51) CFDTBXAS1SYK
SCHEMBL23217690 0.85 CFD (0.43) CFDALDH1A1PKMTBXAS1LMNA
SCHEMBL23217693 0.85 CFD (0.43) CFDALDH1A1PKMTBXAS1LMNA
SCHEMBL23217720 0.85 CFD (0.49) CFDALDH1A1PKMTBXAS1NPC1
SCHEMBL30010287 0.85 CFD (0.49) CFDALDH1A1PKMTBXAS1NPC1

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