SCHEMBL29611567

SCHEMBL29611567

COC(=O)c1cc(F)c(O)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.45
PDGFRB P09619 1/20 0.45
FGFR1 P11362 1/20 0.45
PDGFRA P16234 1/20 0.45
FLT1 P17948 1/20 0.45
FGFR3 P22607 1/20 0.45
KDR P35968 1/20 0.45
TDP1 Q9NUW8 3/20 0.42
GAA P10253 2/20 0.41
VCAM1 P19320 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
TTR P02766 2/20 0.40
TPMT P51580 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 0.40

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
SCHEMBL18953141 1.00 SIRT6 (0.45) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL11922558 0.94 TDP1 (0.45) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL1640894 0.89 SIRT6 (0.48) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL29679513 0.89 SIRT6 (0.48) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL2895340 0.87 PDGFRB (0.50) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL13107196 0.84 PDGFRB (0.51) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL29569855 0.83 SIRT6 (0.44) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL20501210 0.83 SIRT6 (0.44) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL2609072 0.83 SIRT6 (0.44) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL11922583 0.83 TDP1 (0.50) SIRT6PDGFRBFGFR1PDGFRAFLT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4208260-A1 AGONISTS OF STIMULATOR OF INTERFERON GENES STING The Scripps Research Institute (US) 2023-07-12 EP disclosed
WO-2022051765-A1 AGONISTS OF STIMULATOR OF INTERFERON GENES STING THE SCRIPPS RESEARCH INSTITUTE (US) 2022-03-10 WO disclosed