SCHEMBL12748997

SCHEMBL12748997

Cc1cn(C(C[C@@H](C)O)OCCO)c(=O)n(Cc2cn(Cc3cc(F)ccn3)nn2)c1=O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ MGAM O43451 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SI P14410 1/20 0.31
▸ MGAM2 Q2M2H8 1/20 0.31
▸ CHRNE Q04844 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
SCHEMBL14068444 0.92 CHRNE (0.31) GRIN1GRIN2BMGAMGAASI
SCHEMBL12748588 0.83 CA12 (0.30) —
SCHEMBL12748355 0.70 ALDH1A1 (0.33) GRIN1GRIN2BCHRNE
SCHEMBL13970127 0.69 KDM4E (0.33) —
SCHEMBL12748995 0.69 KDM4E (0.33) —
SCHEMBL12718195 0.69 TK1 (0.38) —
SCHEMBL12718292 0.69 TK1 (0.38) —
SCHEMBL13970119 0.61 GUSB (0.30) —
SCHEMBL13970114 0.61 TYMP (0.41) —
SCHEMBL12748527 0.59 LMNA (0.31) —

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-7928210-B2 Nucleoside based proliferation imaging markers SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-04-19 — — US disclosed
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