SCHEMBL9857680

SCHEMBL9857680

CCOP(=O)(COCCC(CO[Si](C)(C)C(C)(C)C)On1cnc2c(N)ncnc21)OCC

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 2/20 0.45
FAP Q12884 2/20 0.45
ABCB11 O95342 1/20 0.45
POLA1 P09884 1/20 0.45
POLG P54098 1/20 0.45
FGFR1 P11362 3/20 0.39
ENPP1 P22413 2/20 0.36
NT5E P21589 1/20 0.35
CYP3A4 P08684 8/20 0.35
CYP2D6 P10635 7/20 0.35
PI4KA P42356 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 1/20 0.33
PI4KB Q9UBF8 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
SCHEMBL9857984 0.92 FAP (0.43) SLC22A6FAPABCB11POLA1POLG
SCHEMBL9683414 0.89 ABCB11 (0.36) SLC22A6FAPABCB11POLA1POLG
SCHEMBL9857986 0.87 SLC22A6 (0.45) SLC22A6FAPABCB11POLA1POLG
SCHEMBL9858388 0.85 ABCB11 (0.34) SLC22A6FAPABCB11POLA1POLG
SCHEMBL9858133 0.85 FGFR1 (0.47) SLC22A6FAPABCB11POLA1POLG
SCHEMBL9857682 0.84 SLC22A6 (0.44) SLC22A6FAPABCB11POLA1POLG
SCHEMBL9857662 0.82 ABCB11 (0.35) SLC22A6FAPABCB11POLA1POLG
SCHEMBL9857663 0.81 FAP (0.42) SLC22A6FAPABCB11POLA1POLG
SCHEMBL9684065 0.80 FDPS (0.34)
SCHEMBL9683433 0.79 FAP (0.35) SLC22A6FAPABCB11POLA1POLG

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-5055458-A PURINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY BEECHAM GROUP P.L.C. (GB) 1991-10-08 US disclosed