SCHEMBL7954435

SCHEMBL7954435

O=C(N[C@H](CO)Cc1ccccc1)c1ccc2cccnc2c1O

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 14/20 0.63
ALDH1A1 P00352 1/20 0.54
ROCK2 O75116 2/20 0.52
RPS6KA5 O75582 2/20 0.52
RPS6KA4 O75676 2/20 0.52
PRKACA P17612 2/20 0.52
MAPK1 P28482 2/20 0.52
GSK3B P49841 2/20 0.52
PRKX P51817 2/20 0.52
ROCK1 Q13464 2/20 0.52
PRKG1 Q13976 2/20 0.52
CLK4 Q9HAZ1 2/20 0.52
LIMK1 P53667 1/20 0.52
GSK3A P49840 1/20 0.50
IRAK1 P51617 1/20 0.50
PKN2 Q16513 1/20 0.50
SGK2 Q9HBY8 1/20 0.50
SLC2A1 P11166 1/20 0.47

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
SCHEMBL7954438 1.00 EGLN1 (0.63) EGLN1ALDH1A1ROCK2RPS6KA5RPS6KA4
SCHEMBL4062930 0.84 ROCK2 (0.48) EGLN1ROCK2RPS6KA5RPS6KA4PRKACA
SCHEMBL4068267 0.84 ROCK2 (0.48) EGLN1ROCK2RPS6KA5RPS6KA4PRKACA
SCHEMBL7952597 0.81 EGLN1 (0.62) EGLN1ALDH1A1SLC2A1
SCHEMBL7952982 0.81 EGLN1 (0.62) EGLN1ALDH1A1SLC2A1
SCHEMBL7952980 0.81 EGLN1 (0.62) EGLN1ALDH1A1SLC2A1
SCHEMBL7956801 0.79 EGLN1 (0.57) EGLN1ALDH1A1SLC2A1
SCHEMBL7956796 0.79 EGLN1 (0.57) EGLN1ALDH1A1SLC2A1
SCHEMBL7691064 0.79 SLC2A1 (0.68) EGLN1ALDH1A1SLC2A1
SCHEMBL7239347 0.79 ROCK2 (0.55) ROCK2RPS6KA5RPS6KA4PRKACAMAPK1

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-6211376-B1 HERPES VIRUS, CYTOMEGALO VIRUS, VARICELLA-ZOSTER VIRUS,EPSTEIN-BARR VIRUS PHARMACIA & UPJOHN COMPANY 2001-04-03 US disclosed