SCHEMBL24112993

SCHEMBL24112993

CCc1cccc2[nH]c(C(C)=O)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.58
DDO Q99489 1/20 0.58
HTR6 P50406 1/20 0.49
GRIN2D O15399 2/20 0.45
GRIN1 Q05586 2/20 0.45
GRIN2A Q12879 2/20 0.45
GRIN2B Q13224 2/20 0.45
GRIN2C Q14957 2/20 0.45
HRH4 Q9H3N8 5/20 0.44
FLT3 P36888 3/20 0.41
SRD5A2 P31213 1/20 0.40
NPEPPS P55786 1/20 0.40
PDGFRB P09619 1/20 0.40
KIT P10721 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GRIN3B O60391 1/20 0.39

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
SCHEMBL14208058 0.87 DAO (0.58) DAODDOHTR6GRIN2DGRIN1
SCHEMBL24113304 0.85 DAO (0.56) DAODDOHTR6GRIN2DGRIN1
SCHEMBL24019648 0.84 DAO (0.55) DAODDOHTR6GRIN2DGRIN1
SCHEMBL23836114 0.81 GRIN2D (0.56) DAODDOHTR6GRIN2DGRIN1
SCHEMBL22620711 0.81 KDM4E (0.56) DAODDOMAPTMEN1KMT2A
SCHEMBL24113038 0.80 DAO (0.54) DAODDOHTR6GRIN2DGRIN1
SCHEMBL24019680 0.79 MEN1 (0.53) DAODDOHTR6GRIN2DGRIN1
SCHEMBL24112430 0.78 HRH4 (0.59) DAOGRIN1HRH4FLT3PDGFRB
SCHEMBL16234660 0.78 HRH4 (0.59) DAODDOGRIN2DGRIN1GRIN2A
SCHEMBL38664122 0.77 HRH4 (0.57) DAODDOGRIN2DGRIN1GRIN2A

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-2021252644-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-12-16 WO disclosed