SCHEMBL855948

SCHEMBL855948

O=C1OCc2c1ccc(F)c2Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 8/20 0.44
KCNH2 Q12809 6/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
ABCC9 O60706 2/20 0.36
ABCC8 Q09428 2/20 0.36
KCNJ11 Q14654 2/20 0.36
KCNJ8 Q15842 2/20 0.36
ACHE P22303 1/20 0.35
SSTR1 P30872 1/20 0.35
SLC6A4 P31645 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
PKM P14618 1/20 0.35
ALOX5 P09917 1/20 0.34
RECQL P46063 1/20 0.33
PRF1 P14222 1/20 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
SCHEMBL855079 0.81 KCNJ1 (0.46) KCNJ1KCNH2MAOAMAOBMAPT
SCHEMBL855513 0.81 KCNJ1 (0.46) KCNJ1KCNH2MAOAMAOBMAPT
SCHEMBL30365884 0.78 KCNJ1 (0.44) KCNJ1KCNH2MAOAMAOBMAPT
SCHEMBL29915113 0.78 KCNJ1 (0.44) KCNJ1KCNH2MAOAMAOBMAPT
SCHEMBL27094928 0.78 KCNJ1 (0.44) KCNJ1KCNH2MAOAMAOBMAPT
SCHEMBL286864 0.78 KCNJ1 (0.44) KCNJ1KCNH2MAOAMAOBMAPT
SCHEMBL6556092 0.78 MAPT (0.44) KCNJ1KCNH2MAOAMAOBMAPT
SCHEMBL855133 0.78 KCNJ1 (0.44) KCNJ1KCNH2MAOAMAOBMAPT
SCHEMBL20231933 0.78 KCNJ1 (0.60) KCNJ1KCNH2LMNAACHESSTR1
SCHEMBL856025 0.75 MAOB (0.47) KCNJ1KCNH2MAOAMAOBMAPT

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