SCHEMBL854136

SCHEMBL854136

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NUAK1 O60285 1/20 0.39
IGF1R P08069 1/20 0.39
MET P08581 1/20 0.39
PIM1 P11309 1/20 0.39
SRC P12931 1/20 0.39
AXL P30530 1/20 0.39
AKT1 P31749 1/20 0.39
KDR P35968 1/20 0.39
NEK2 P51955 1/20 0.39
PLK1 P53350 1/20 0.39
PTK2 Q05397 1/20 0.39
PKN1 Q16512 1/20 0.39
AURKB Q96GD4 1/20 0.39
NEK6 Q9HC98 1/20 0.39
ALK Q9UM73 1/20 0.39

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
SCHEMBL856180 0.83 NUAK1 (0.35) NUAK1IGF1RMETPIM1SRC
SCHEMBL855175 0.80 NUAK1 (0.36) NUAK1IGF1RMETPIM1SRC
SCHEMBL20008085 0.80 NUAK1 (0.36) NUAK1IGF1RMETPIM1SRC
SCHEMBL13986101 0.77
SCHEMBL855548 0.74 NUAK1 (0.35) NUAK1IGF1RMETPIM1SRC
SCHEMBL855628 0.74 NUAK1 (0.35) NUAK1IGF1RMETPIM1SRC
SCHEMBL855596 0.71 NUAK1 (0.36) NUAK1IGF1RMETPIM1SRC
SCHEMBL854104 0.68 ALOX5 (0.38) NUAK1IGF1RMETPIM1SRC
SCHEMBL855135 0.63 ALDH1A1 (0.40) NUAK1IGF1RMETPIM1SRC
SCHEMBL12553039 0.63 NUAK1 (0.41) 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 6 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
CN-105849094-B The manufacture method of halogen-substituted phthalein 住友化学株式会社 2018-04-10 CN disclosed
CN-105849094-A Method for producing halogen-substituted phthalide 住友化学株式会社 2016-08-10 CN 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