SCHEMBL855177

SCHEMBL855177

O=C1OCc2c(Cl)c(Cl)cc(Cl)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUAK1 O60285 1/20 0.35
IGF1R P08069 1/20 0.35
MET P08581 1/20 0.35
PIM1 P11309 1/20 0.35
SRC P12931 1/20 0.35
AXL P30530 1/20 0.35
AKT1 P31749 1/20 0.35
KDR P35968 1/20 0.35
NEK2 P51955 1/20 0.35
PLK1 P53350 1/20 0.35
PTK2 Q05397 1/20 0.35
PKN1 Q16512 1/20 0.35
AURKB Q96GD4 1/20 0.35
NEK6 Q9HC98 1/20 0.35
ALK Q9UM73 1/20 0.35
CYP3A4 P08684 1/20 0.33
PNMT P11086 1/20 0.33
ALOX5 P09917 1/20 0.33
ALDH1A1 P00352 1/20 0.32
AHR P35869 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
SCHEMBL855516 0.83 EPAS1 (0.34) NUAK1IGF1RMETPIM1SRC
SCHEMBL854144 0.75 PIM1 (0.37) NUAK1IGF1RMETPIM1SRC
4,5,6,7-Tetrachlorophthalide SCHEMBL27454 0.74 ALDH1A1 (0.44) NUAK1IGF1RMETPIM1SRC
4,5,6,7-Tetrachlorophthalide SCHEMBL8408571 0.74 ALDH1A1 (0.44) NUAK1IGF1RMETPIM1SRC
4,5,6,7-Tetrachlorophthalide SCHEMBL31338556 0.74 ALDH1A1 (0.44) NUAK1IGF1RMETPIM1SRC
SCHEMBL855719 0.72 ALOX5 (0.42) ALOX5MEN1KMT2AMAOB
SCHEMBL855938 0.72 ALOX5 (0.39) CYP3A4ALOX5GAAMAOB
SCHEMBL15680609 0.72 NUAK1 (0.47) NUAK1IGF1RMETPIM1SRC
SCHEMBL855596 0.69 NUAK1 (0.36) NUAK1IGF1RMETPIM1SRC
SCHEMBL855171 0.68 ALOX5 (0.36) ALOX5GAAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2433933-B1 PRODUCTION METHOD OF TRI- OR TETRAHALOGEN-SUBSTITUTED PHTHALIDE SUMITOMO CHEMICAL CO (JP) 2019-05-08 EP disclosed
US-8604221-B2 Production method of halogen-substituted phthalide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-10 US disclosed
US-20120142946-A1 PRODUCTION METHOD OF HALOGEN-SUBSTITUTED PHTHALIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-07 US disclosed
EP-2433933-A1 PRODUCTION METHOD OF HALOGEN-SUBSTITUTED PHTHALIDE Sumitomo Chemical Company, Limited (JP) 2012-03-28 EP disclosed