SCHEMBL9548683

SCHEMBL9548683

CC(=O)OC[C@@]1(C#N)O[C@](n2cnc3c(N)ncnc32)([SiH](C)C)C[C@@H]1OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
PI4KA P42356 3/20 0.35
PI4K2B Q8TCG2 3/20 0.35
PI4K2A Q9BTU6 3/20 0.35
PI4KB Q9UBF8 3/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
SLC28A1 O00337 1/20 0.34
P2RY1 P47900 2/20 0.33
AHCY P23526 3/20 0.33
GMPS P49915 1/20 0.33
HSP90B1 P14625 1/20 0.32
ABCB11 O95342 1/20 0.32
POLA1 P09884 1/20 0.32
POLG P54098 1/20 0.32
FAP Q12884 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32

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
SCHEMBL9548670 0.86 MEN1 (0.35) ADORA3
SCHEMBL9548732 0.81
SCHEMBL9548802 0.80 ADORA2A (0.42) TAS1R3TAS1R1PI4KAPI4K2BPI4K2A
SCHEMBL9548690 0.79 ADORA2A (0.42) TAS1R3TAS1R1PI4KAPI4K2BPI4K2A
SCHEMBL9548707 0.77 ADORA3 (0.41) TAS1R3TAS1R1PI4KAPI4K2BPI4K2A
SCHEMBL9548680 0.76 ADORA3 (0.37) TAS1R3TAS1R1PI4KAPI4K2BPI4K2A
SCHEMBL9548638 0.76 ADORA2A (0.39) TAS1R3TAS1R1PI4KAPI4K2BPI4K2A
SCHEMBL9548745 0.74 ADORA2A (0.40) TAS1R3TAS1R1PI4KAPI4K2BPI4K2A
SCHEMBL9548835 0.70 ADORA2A (0.44) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL9227355 0.70 PI4KA (0.37) PI4KAPI4K2BPI4K2API4KBADORA3

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-5192749-A Viricide, AIDS SYNTEX (U.S.A.) INC. (US) 1993-03-09 US disclosed