SCHEMBL30516596

SCHEMBL30516596

COC(=O)c1cnc(C2(C)CCC(F)(F)CC2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.37
ATM Q13315 1/20 0.37
POLB P06746 2/20 0.36
KDM4E B2RXH2 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PSMD14 O00487 1/20 0.35
PKM P14618 1/20 0.35
P2RX7 Q99572 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
NFKB1 P19838 1/20 0.34
XDH P47989 1/20 0.34
GFER P55789 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
FUT7 Q11130 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 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
SCHEMBL24214081 1.00 MAPK1 (0.37) MAPK1ATMPOLBKDM4EL3MBTL1
SCHEMBL24215525 0.85 HDAC6 (0.33) P2RX7HDAC6HDAC3HDAC4HDAC1
SCHEMBL24214080 0.85 HCAR2 (0.36) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL24215529 0.83 RORC (0.33) P2RX7
SCHEMBL20304715 0.79 HDAC6 (0.34) HDAC6HDAC3HDAC1HDAC2
SCHEMBL24215526 0.78 ALDH1A1 (0.40) POLBP2RX7CYP2C9ALDH1A1
SCHEMBL30516630 0.78 ALDH1A1 (0.40) POLBP2RX7CYP2C9ALDH1A1
SCHEMBL30412298 0.78
SCHEMBL38655680 0.77 RORC (0.40) MAPK1ATMPOLBKDM4EL3MBTL1
SCHEMBL24215455 0.75 OPRK1 (0.45) HDAC6CRBN

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