SCHEMBL7071534

SCHEMBL7071534

CC(=O)c1nc2cc3c(cc2[nH]1)C(=O)OC3=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.39
MAPT P10636 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
HRH4 Q9H3N8 7/20 0.33
HRH3 Q9Y5N1 2/20 0.33
XDH P47989 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
LMNA P02545 1/20 0.32
GRIK1 P39086 1/20 0.32
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIK2 Q13002 1/20 0.32
GRIK3 Q13003 1/20 0.32
GRIN2B Q13224 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
SCHEMBL8135807 0.77 HPGD (0.44) MAPTHSD17B10MEN1POLBKMT2A
SCHEMBL5918216 0.75 FABP6 (0.52) PIN1MAPTEGLN1HSD17B10LMNA
SCHEMBL1258540 0.73 EGLN1 (0.57) PIN1EGLN1GRIN2DGRIN3BLMNA
SCHEMBL1132610 0.69 MAPT (0.62) MAPTHRH4XDHLMNAMEN1
SCHEMBL28870254 0.69 PLAU (0.54) PIN1HRH4POLB
SCHEMBL26241758 0.69 PIN1 (0.57) PIN1MAPTHRH4XDHHSD17B10
SCHEMBL23683140 0.69 SMN1; SMN2 (0.40) PIN1MAPTXDHHSD17B10LMNA
Chloromethane SCHEMBL29246404 0.68 MAPT (0.60) MAPTHRH4XDHLMNAMEN1
SCHEMBL8071539 0.68 HRH4 (0.60) PIN1EGLN1HRH4HRH3MPO
SCHEMBL8071535 0.68 HRH4 (0.47) PIN1MAPTHRH4HRH3HSD17B10

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
WO-2003051898-A1 UNUSUAL NUCLEOSIDE LIBRARIES, COMPOUNDS, AND PREFERRED USES AS ANTIVIRAL AND ANTICANCER AGENTS RIBAPHARM INC. (US) 2003-06-26 WO disclosed