SCHEMBL5518489

SCHEMBL5518489

O=c1[nH]c(=O)c2c(ncn2F)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 2/20 0.62
ACHE P22303 1/20 0.40
PMP22 Q01453 3/20 0.36
BLM P54132 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
ADORA2A P29274 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
ADORA2B P29275 2/20 0.33
DPP4 P27487 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
PABPC1 P11940 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL5512566 0.80 GDA (0.57) GDAACHEPMP22BLMALDH1A1
7-Methylxanthine SCHEMBL235130 0.77 GDA (1.00) GDAACHEPMP22BLMALDH1A1
7-Methylxanthine SCHEMBL28591758 0.77 GDA (1.00) GDAACHEPMP22BLMALDH1A1
7-Methylxanthine SCHEMBL31071477 0.77 GDA (1.00) GDAACHEPMP22BLMALDH1A1
7-Methylxanthine SCHEMBL31071476 0.77 GDA (1.00) GDAACHEPMP22BLMALDH1A1
SCHEMBL9161807 0.77 GDA (0.57) GDAACHEALDH1A1ADORA2APDE4A
SCHEMBL9197448 0.77 GDA (0.57) GDAACHEPMP22BLMALDH1A1
SCHEMBL9194843 0.77 GDA (0.62) GDAACHEPMP22BLMALDH1A1
SCHEMBL7454607 0.74 GDA (0.54) GDABLMALDH1A1TSHRADORA2A
SCHEMBL1460591 0.74 GDA (0.63) GDAALDH1A1ADORA2AADORA2BPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100478364-C Ethylene polymer and molded article obtained therefrom MITSUI CHEMICALS INC (JP) 2009-04-15 CN disclosed
US-7208559-B2 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2007-04-24 US disclosed
US-20060135712-A1 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2006-06-22 US disclosed
CN-1732189-A Ethylene polymer and molded article obtained therefrom MITSUI CHEMICALS INC (JP) 2006-02-08 CN disclosed