SCHEMBL28665352

SCHEMBL28665352

O=C1OCc2c(F)cc(F)c(CCCCO)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH1 P20839 6/20 0.39
IMPDH2 P12268 4/20 0.39
CYP1A1 P04798 2/20 0.38
NUAK1 O60285 1/20 0.33
IGF1R P08069 1/20 0.33
MET P08581 1/20 0.33
PIM1 P11309 1/20 0.33
SRC P12931 1/20 0.33
AXL P30530 1/20 0.33
AKT1 P31749 1/20 0.33
KDR P35968 1/20 0.33
NEK2 P51955 1/20 0.33
PLK1 P53350 1/20 0.33
PTK2 Q05397 1/20 0.33
PKN1 Q16512 1/20 0.33
AURKB Q96GD4 1/20 0.33
NEK6 Q9HC98 1/20 0.33
ALK Q9UM73 1/20 0.33
DAO P14920 1/20 0.33
PGR P06401 2/20 0.31

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
SCHEMBL28677278 0.77 IMPDH1 (0.39) IMPDH1IMPDH2CYP1A1NUAK1IGF1R
SCHEMBL28661787 0.77 MMP2 (0.36) IMPDH1IMPDH2CYP1A1PGRLMNA
SCHEMBL28659570 0.77 CA2 (0.35) IMPDH1IMPDH2CYP1A1NUAK1IGF1R
SCHEMBL28670661 0.77 IMPDH1 (0.39) IMPDH1IMPDH2CYP1A1NUAK1IGF1R
SCHEMBL12553493 0.69 IMPDH1 (0.39) IMPDH1IMPDH2CYP1A1NUAK1IGF1R
SCHEMBL28680727 0.66 IMPDH1 (0.34) IMPDH1IMPDH2CYP1A1NUAK1IGF1R
SCHEMBL28672415 0.66 MMP2 (0.36) IMPDH1IMPDH2CYP1A1LMNAMAOA
SCHEMBL28680796 0.66 IMPDH1 (0.34) IMPDH1IMPDH2CYP1A1NUAK1IGF1R
SCHEMBL28670654 0.66 MMP2 (0.36) IMPDH1IMPDH2CYP1A1LMNAMAOA
SCHEMBL855628 0.64 NUAK1 (0.35) NUAK1IGF1RMETPIM1SRC

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
CN-113666895-A Halogenated 2-benzo [ c ] furanone compound and application thereof 华北制药集团新药研究开发有限责任公司 2021-11-19 CN claimed
CN-113666895-A Halogenated 2-benzo [ c ] furanone compound and application thereof 华北制药集团新药研究开发有限责任公司 2021-11-19 CN disclosed