SCHEMBL23079353

SCHEMBL23079353

CC(=O)CNC(=O)CCCCNC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.46
SLC6A5 Q9Y345 2/20 0.43
EPHX2 P34913 2/20 0.41
GAA P10253 1/20 0.41
CASP2 P42575 1/20 0.40
ADRA1A P35348 1/20 0.40
FAAH O00519 3/20 0.40
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
PAOX Q6QHF9 3/20 0.38
NAAA Q02083 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DNM1 Q05193 1/20 0.38

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
SCHEMBL20841237 0.84 RECQL (0.52) RECQLSLC6A5GAAFAAHTSHR
SCHEMBL16217880 0.84 RECQL (0.60) RECQLSLC6A5GAAFAAHTSHR
SCHEMBL12962267 0.82 PAOX (0.53) CASP2ADRA1AKDM4EMAPK1HIF1A
SCHEMBL26254307 0.81 SLC6A5 (0.54) SLC6A5EPHX2CASP2FAAHKDM4E
SCHEMBL28444812 0.80 PAOX (0.57) CASP2ADRA1AKDM4EMAPK1HIF1A
SCHEMBL26748554 0.80 PAOX (0.57) CASP2ADRA1AKDM4EMAPK1HIF1A
SCHEMBL16250314 0.80 RECQL (0.56) RECQLGAAFAAHTSHRPAOX
SCHEMBL13203022 0.80 RECQL (0.54) RECQLSLC6A5GAACASP2FAAH
SCHEMBL15602555 0.79 NAMPT (0.45) SLC6A5CASP2ADRA1AFAAHTSHR
SCHEMBL19477806 0.78 RECQL (0.54) RECQLGAAFAAHTSHRPAOX

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-2021046426-A1 CYCLIC DINUCLEOTIDE STING AGONISTS TETHERED TO A PD-1 OR CTLA-4 ANTIBODIES SPEROVIE BIOSCIENCES, INC. (US) 2021-03-11 WO disclosed