SCHEMBL15823736

SCHEMBL15823736

COC(=O)c1cc(I)c([N+](=O)[O-])cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
HTT P42858 1/20 0.46
CHEK1 O14757 1/20 0.46
GAA P10253 1/20 0.44
CYP3A4 P08684 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.44
PDGFRB P09619 1/20 0.44
FGFR1 P11362 1/20 0.44
PDGFRA P16234 1/20 0.44
FLT1 P17948 1/20 0.44
FGFR3 P22607 1/20 0.44
KDR P35968 1/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX15 P16050 1/20 0.43
PRKDC P78527 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL21834530 0.94 PDGFRB (0.47) POLBHTTCHEK1GAACYP3A4
SCHEMBL15809180 0.85 MAPT (0.42) POLBHTTCHEK1CYP3A4L3MBTL1
SCHEMBL15827615 0.83 GAA (0.45) HTTGAAPDGFRBFGFR1PDGFRA
SCHEMBL28604145 0.83 HTT (0.47) POLBHTTCHEK1GAACYP3A4
SCHEMBL12190692 0.83 PDGFRB (0.51) POLBHTTCHEK1GAACYP3A4
SCHEMBL8902175 0.83 CHEK1 (0.51) POLBHTTCHEK1GAACYP3A4
SCHEMBL2899450 0.83 POLB (0.52) POLBHTTCHEK1GAACYP3A4
SCHEMBL9793659 0.82 GAA (0.55) POLBHTTCHEK1GAACYP3A4
SCHEMBL29160276 0.82 L3MBTL1 (0.47) POLBHTTCHEK1GAACYP3A4
SCHEMBL17137155 0.82 POLB (0.49) POLBHTTCYP3A4L3MBTL1NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2746250-B1 Precursors and process for the production of 18F-labelled amino acids ABX ADVANCED BIOCHEMICAL COMPOUNDS GMBH (DE) 2017-09-27 EP disclosed
WO-2014095739-A1 PRECURSORS AND PROCESS FOR THE PRODUCTION OF 18F-LABELLED AMINO ACIDS ABX ADVANCED BIOCHEMICAL COMPOUNDS (DE) 2014-06-26 WO disclosed
EP-2746250-A1 Precursors and process for the production of 18F-labelled amino acids ABX Advanced Biochemical Compounds GmbH (DE) 2014-06-25 EP disclosed