SCHEMBL855174

SCHEMBL855174

O=C1OCc2c(Br)ccc(F)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 16/20 0.39
KCNJ11 Q14654 16/20 0.39
ABCC8 Q09428 12/20 0.39
KCNJ8 Q15842 12/20 0.39
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
EPAS1 Q99814 1/20 0.32

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
SCHEMBL854104 0.84 ALOX5 (0.38) ABCC9KCNJ11ABCC8KCNJ8NUAK1
SCHEMBL855093 0.84 PIM1 (0.37) NUAK1IGF1RMETPIM1SRC
SCHEMBL33526792 0.82 ABCC9 (0.42) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL12553463 0.78 MAOA (0.47) NUAK1IGF1RMETPIM1SRC
SCHEMBL855135 0.78 ALDH1A1 (0.40) NUAK1IGF1RMETPIM1SRC
SCHEMBL12553377 0.78 AKT1 (0.41) NUAK1IGF1RMETPIM1SRC
SCHEMBL12553458 0.74 KDM4E (0.57) NUAK1IGF1RMETPIM1SRC
SCHEMBL286736 0.74 NUAK1 (0.45) ABCC9KCNJ11ABCC8KCNJ8NUAK1
SCHEMBL16555552 0.71 EPAS1 (0.34) NUAK1IGF1RMETPIM1SRC
SCHEMBL855948 0.70 KCNJ1 (0.44) ABCC9KCNJ11ABCC8KCNJ8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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