SCHEMBL9683414

SCHEMBL9683414

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.36
POLA1 P09884 1/20 0.36
POLG P54098 1/20 0.36
FAP Q12884 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
PI4KA P42356 4/20 0.35
PI4K2B Q8TCG2 4/20 0.35
PI4K2A Q9BTU6 4/20 0.35
PI4KB Q9UBF8 4/20 0.35
CYP3A4 P08684 6/20 0.35
ADORA2A P29274 3/20 0.35
ADORA1 P30542 3/20 0.35
ADORA2B P29275 2/20 0.35
CYP2D6 P10635 5/20 0.34
HSP90AA1 P07900 2/20 0.34
HSP90AB1 P08238 2/20 0.34
FGFR1 P11362 1/20 0.33
ENPP3 O14638 1/20 0.33
ENPP1 P22413 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
SCHEMBL9684065 0.90 FDPS (0.34) HSP90AA1HSP90AB1
SCHEMBL9857680 0.89 SLC22A6 (0.45) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL9857984 0.88 FAP (0.43) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL9683433 0.87 FAP (0.35) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL9685082 0.86 ABCB11 (0.35) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL9683749 0.83 FGFR1 (0.42) SLC22A6PI4KAPI4K2BPI4K2API4KB
SCHEMBL9857662 0.78 ABCB11 (0.35) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL9857986 0.78 SLC22A6 (0.45) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL9683794 0.77 CYP3A4 (0.41) SLC22A6PI4KAPI4K2BPI4K2API4KB
SCHEMBL9685502 0.76 FDPS (0.34) HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5166198-A Herpes virus infections BEECHAM P.L.C. (GB) 1992-11-24 US disclosed
EP-0404296-A1 Phosphono derivatives of purine with antiviral activity Beecham Group p.l.c. (GB) 1990-12-27 EP disclosed