SCHEMBL1979466

SCHEMBL1979466

CN1C=CN(C(=O)C(=O)c2ccccc2)C1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 11/20 0.39
CES1 P23141 10/20 0.39
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 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
SCHEMBL1979467 1.00 CES2 (0.39) CES2CES1RAB9ALMNAMAPT
SCHEMBL1704443 0.71 CES2 (0.35) CES2CES1LMNAALDH1A1
SCHEMBL1704378 0.71 CNR2 (0.36) CES2CES1ALDH1A1
SCHEMBL23917942 0.64
Benzil SCHEMBL8189065 0.63 CES2 (0.70) CES2CES1RAB9ALMNAMAPT
Benzil SCHEMBL4832229 0.62 CES2 (0.88) CES2CES1RAB9ALMNAMAPT
Benzil SCHEMBL27655380 0.62 CES2 (0.88) CES2CES1RAB9ALMNAMAPT
SCHEMBL4625269 0.62 CES2 (0.59) CES2CES1RAB9ALMNAMAPT
Benzil SCHEMBL9517636 0.61 CES2 (1.00) CES2CES1RAB9ALMNAMAPT
Benzil SCHEMBL66 0.61 CES2 (1.00) CES2CES1RAB9ALMNAMAPT

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
EP-2336114-A1 Process for the synthesis of L-3,4 dihydroxy-6-[18F]fluoro-phenylalanine and 2-[18F]Fluor-L-tyrosine and their alpha-methylated derivatives starting from a precursor Forschungszentrum Jülich GmbH (DE) 2011-06-22 EP disclosed