SCHEMBL30516598

SCHEMBL30516598

Fc1cccnc1C1CCC(F)(F)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.39
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
TRPV3 Q8NET8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MPI P34949 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR1A P08908 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
IDH1 O75874 1/20 0.35
OPRL1 P41146 1/20 0.34
RIPK1 Q13546 2/20 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
SCHEMBL23853811 0.85 HTR1A (0.40) P2RX7KDM4EMPIL3MBTL1HTR1A
SCHEMBL22778029 0.82 KDM4E (0.37) P2RX7KDM4EMPIL3MBTL1HTR1A
SCHEMBL29714391 0.82 KDM4E (0.37) P2RX7KDM4EMPIL3MBTL1HTR1A
SCHEMBL2563345 0.82 HTR1A (0.38) P2RX7KDM4EMPIL3MBTL1HTR1A
SCHEMBL29262978 0.81 JAK2 (0.36) P2RX7JAK2JAK1TYK2JAK3
SCHEMBL30416757 0.81 OPRL1 (0.49) P2RX7OPRL1
SCHEMBL30445559 0.79 IDH1 (0.34) P2RX7JAK2JAK1TYK2JAK3
SCHEMBL26152156 0.79 IDH1 (0.34) P2RX7JAK2JAK1TYK2JAK3
SCHEMBL30416904 0.78 P2RX7 (0.38) P2RX7KDM4EL3MBTL1
SCHEMBL3784551 0.77 HTR1A (0.55) HTR1ASLC6A2SLC6A4

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