SCHEMBL9685082

SCHEMBL9685082

CCOP(=O)(CCC(COn1cnc2c(N)ncnc21)O[Si](C)(C)C(C)(C)C)OCC

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.35
POLA1 P09884 1/20 0.35
POLG P54098 1/20 0.35
FAP Q12884 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
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 4/20 0.34
ADORA1 P30542 4/20 0.34
ADORA2B P29275 2/20 0.34
CYP2D6 P10635 5/20 0.33
HSP90AA1 P07900 3/20 0.33
HSP90AB1 P08238 3/20 0.33
FGFR1 P11362 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
SCHEMBL9857663 0.88 FAP (0.42) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL9683433 0.86 FAP (0.35) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL9683414 0.86 ABCB11 (0.36) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL9685628 0.83
SCHEMBL9683794 0.82 CYP3A4 (0.41) SLC22A6PI4KAPI4K2BPI4K2API4KB
SCHEMBL9684215 0.80 ADORA2A (0.40) SLC22A6PI4KAPI4K2BPI4K2API4KB
SCHEMBL10448194 0.79 PI4KA (0.35) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL9683749 0.79 FGFR1 (0.42) SLC22A6PI4KAPI4K2BPI4K2API4KB
SCHEMBL10448195 0.78 PI4KA (0.35) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL9683429 0.78 FAP (0.34) ABCB11POLA1POLGFAPSLC22A6

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-5166198-A Herpes virus infections BEECHAM P.L.C. (GB) 1992-11-24 US disclosed