SCHEMBL30516582

SCHEMBL30516582

COC(=O)c1cnc(C2CC(F)(F)C2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.38
ATM Q13315 1/20 0.38
POLB P06746 2/20 0.36
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KCNH2 Q12809 2/20 0.36
GRM2 Q14416 2/20 0.36
PSMD14 O00487 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
NFKB1 P19838 1/20 0.35
XDH P47989 1/20 0.35
GFER P55789 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
FUT7 Q11130 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL29046102 1.00 MAPK1 (0.38) MAPK1ATMPOLBKDM4EL3MBTL1
SCHEMBL30413012 0.87 KDM1A (0.38) MAPK1ATMPOLBKDM4EL3MBTL1
SCHEMBL24215555 0.87 KDM1A (0.38) MAPK1ATMPOLBKDM4EL3MBTL1
SCHEMBL24215687 0.86 ATM (0.41) MAPK1ATMKDM4EL3MBTL1PSMD14
SCHEMBL31003355 0.86 MAPK1 (0.41) MAPK1ATMPOLBKDM4EL3MBTL1
SCHEMBL3372466 0.86 MAPK1 (0.41) MAPK1ATMPOLBKDM4EL3MBTL1
SCHEMBL25333591 0.86 MAPK1 (0.35) MAPK1ATMPOLBKDM4EL3MBTL1
SCHEMBL25933737 0.86 MAPK1 (0.35) MAPK1ATMPOLBKDM4EL3MBTL1
SCHEMBL24214158 0.85 MAPK1 (0.40) MAPK1ATMPOLBKDM4EL3MBTL1
SCHEMBL25331869 0.85 MGLL (0.36) MAPK1ATMPOLBKDM4EL3MBTL1

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
CN-116528862-A Compounds and compositions for the treatment of diseases associated with STING activity 艾福姆德尤股份有限公司 2023-08-01 CN disclosed