SCHEMBL855093

SCHEMBL855093

O=C1OCc2c(Br)ccc(Br)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.37
NUAK1 O60285 1/20 0.37
IGF1R P08069 1/20 0.37
MET P08581 1/20 0.37
SRC P12931 1/20 0.37
AXL P30530 1/20 0.37
AKT1 P31749 1/20 0.37
KDR P35968 1/20 0.37
NEK2 P51955 1/20 0.37
PLK1 P53350 1/20 0.37
PTK2 Q05397 1/20 0.37
PKN1 Q16512 1/20 0.37
AURKB Q96GD4 1/20 0.37
NEK6 Q9HC98 1/20 0.37
ALK Q9UM73 1/20 0.37
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALOX5 P09917 4/20 0.34
KMT2A Q03164 2/20 0.33

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
SCHEMBL12553463 0.84 MAOA (0.47) PIM1NUAK1IGF1RMETSRC
SCHEMBL855174 0.84 ABCC9 (0.39) PIM1NUAK1IGF1RMETSRC
SCHEMBL12553377 0.84 AKT1 (0.41) PIM1NUAK1IGF1RMETSRC
SCHEMBL12553458 0.80 KDM4E (0.57) PIM1NUAK1IGF1RMETSRC
SCHEMBL11363863 0.80 KDM4E (0.51) PIM1NUAK1IGF1RMETSRC
SCHEMBL855921 0.75 NUAK1 (0.35) PIM1NUAK1IGF1RMETSRC
SCHEMBL12586920 0.74 KDM4E (0.40) PIM1NUAK1IGF1RMETSRC
SCHEMBL855553 0.72 MAOA (0.47) PIM1MAOAMAOBKDM4EALOX5
SCHEMBL698199 0.72 PIM1 (0.48) PIM1MAOAMAOBKDM4EALOX5
SCHEMBL30859549 0.72 NUAK1 (0.33) PIM1NUAK1IGF1RMETSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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