SCHEMBL11513833

SCHEMBL11513833

O=C(O)CCCn1c(=O)n(CCCC(=O)O)c2c(Br)c(Br)c(Br)c(Br)c21

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 4/20 0.54
CSNK2A1 P68400 4/20 0.54
APEX1 P27695 1/20 0.43
FABP4 P15090 2/20 0.42
FABP5 Q01469 2/20 0.42
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGS1 P23219 4/20 0.37
PTGS2 P35354 4/20 0.37
CYP1A2 P05177 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL11807352 0.89 APEX1 (0.55) CSNK2A2CSNK2A1APEX1FABP4FABP5
SCHEMBL411981 0.82 APEX1 (0.54) APEX1FABP4FABP5MAPK1KDM4E
SCHEMBL11514305 0.80 TSHR (0.44) CSNK2A2CSNK2A1SMN1; SMN2LMNA
SCHEMBL11514212 0.77 TNF (0.60) KDM4ECYP1A2
SCHEMBL25465028 0.76 PTGS1 (0.53) APEX1FABP4FABP5MEN1KMT2A
SCHEMBL30976974 0.75 APEX1 (0.47) CSNK2A2CSNK2A1APEX1FABP4FABP5
SCHEMBL11817897 0.75 CSNK2A2 (0.50) CSNK2A2CSNK2A1APEX1
SCHEMBL25465029 0.74 PTGS1 (0.57) APEX1FABP4FABP5MEN1KMT2A
SCHEMBL6520401 0.73 APEX1 (0.78) APEX1FABP4FABP5MAPK1KDM4E
SCHEMBL3771053 0.71 FABP4 (0.46) CSNK2A2CSNK2A1APEX1FABP4FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4161603-A HEAT RESISTANT POLYESTERS CIBA-GEIGY CORPORATION (US) 1979-07-17 US disclosed