SCHEMBL29784332

SCHEMBL29784332

COC(=O)c1cccc2c1nc(CNC(=O)c1cnn3cccnc13)n2C

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 7/20 0.83
LMNA P02545 2/20 0.56
KDM4E B2RXH2 3/20 0.51
HSD17B10 Q99714 3/20 0.51
HPGD P15428 2/20 0.51
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.51
ALDH1A1 P00352 1/20 0.49
PDE2A O00408 2/20 0.49
IRAK4 Q9NWZ3 5/20 0.47

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
SCHEMBL27185519 1.00 STING1 (0.83) STING1LMNAKDM4EHSD17B10HPGD
SCHEMBL29784554 0.97 STING1 (0.90) STING1LMNAKDM4EHSD17B10HPGD
SCHEMBL29784174 0.91 STING1 (1.00) STING1LMNAKDM4EHSD17B10HPGD
SCHEMBL27185357 0.91 STING1 (1.00) STING1LMNAKDM4EHSD17B10HPGD
SCHEMBL27185655 0.76 STING1 (1.00) STING1LMNAKDM4EHSD17B10HPGD
SCHEMBL938487 0.74 STING1 (0.44) STING1LMNAKDM4EMAPT
SCHEMBL19030768 0.74 LMNA (0.72) STING1LMNAKDM4EHSD17B10HPGD
SCHEMBL29784402 0.73 STING1 (0.82) STING1LMNAKDM4EHSD17B10HPGD
SCHEMBL27185737 0.73 STING1 (0.82) STING1LMNAKDM4EHSD17B10HPGD
SCHEMBL29784480 0.71 PARP1 (0.45) STING1LMNAKDM4EHSD17B10MAPT

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-2022169921-A1 BENZOFURAN COMPOUNDS AS STING AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-08-11 WO disclosed