SCHEMBL14068444

SCHEMBL14068444

Cc1cn(C(CCO)OCCO)c(=O)n(Cc2cn(Cc3cc(F)ccn3)nn2)c1=O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHRNE Q04844 1/20 0.31
▸ GRIN1 Q05586 3/20 0.31
▸ GRIN2B Q13224 3/20 0.31
▸ MGAM O43451 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ SI P14410 1/20 0.30
▸ MGAM2 Q2M2H8 1/20 0.30

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
SCHEMBL12748997 0.92 GRIN1 (0.31) CHRNEGRIN1GRIN2BMGAMGAA
SCHEMBL12748588 0.76 CA12 (0.30) —
SCHEMBL12748355 0.72 ALDH1A1 (0.33) CHRNEGRIN1GRIN2B
SCHEMBL12718292 0.70 TK1 (0.38) —
SCHEMBL12718195 0.70 TK1 (0.38) —
SCHEMBL12748527 0.68 LMNA (0.31) —
SCHEMBL13949121 0.61 ADRB1 (0.37) —
SCHEMBL13970119 0.58 GUSB (0.30) —
SCHEMBL13970127 0.58 KDM4E (0.33) —
SCHEMBL12748995 0.58 KDM4E (0.33) —

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
WO-2008109080-A2 NUCLEOSIDE BASED PROLIFERATION IMAGING MARKERS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2008-09-12 — — WO disclosed
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