SCHEMBL6177977

SCHEMBL6177977

O=CC(=O)N(O)c1cc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.46
CYP2A6 P11509 1/20 0.46
KDM4E B2RXH2 3/20 0.45
DAO P14920 2/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
SRD5A2 P31213 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALOX5 P09917 1/20 0.41
DDO Q99489 1/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
PDGFRB P09619 2/20 0.39
PDGFRA P16234 2/20 0.39
IDO1 P14902 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL31529969 0.75 FLT3 (0.48) FLT3CYP2A6KDM4EDAOMAPT
SCHEMBL31529970 0.75 FLT3 (0.48) FLT3CYP2A6KDM4EDAOMAPT
SCHEMBL27762933 0.71 CYP2A6 (0.50) FLT3CYP2A6KDM4EDAOMAPT
SCHEMBL1654195 0.71 FLT3 (0.42) FLT3CYP2A6KDM4EDAOMAPT
SCHEMBL28593629 0.70 AOC3 (0.52) FLT3CYP2A6KDM4EDAOMAPT
SCHEMBL2728701 0.69 FLT3 (0.67) FLT3CYP2A6KDM4EDAOMAPT
SCHEMBL28849651 0.69 CYP2A6 (0.47) FLT3CYP2A6KDM4EDAOMAPT
SCHEMBL25305793 0.68 GSTO1 (0.46) FLT3CYP2A6KDM4EDAOMAPT
SCHEMBL8609404 0.68 KDM4E (0.45) FLT3KDM4EDAOMAPTHPGD
SCHEMBL3365468 0.67 AOC3 (0.48) FLT3CYP2A6KDM4EDAOMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1325490-C Process for preparing high purity hydroxyindolylacetylglyoxylamides ELBION AG (DE) 2007-07-11 CN disclosed
CN-1671692-A Method for producing highly pure hydroxy indolyl glyoxylic acid amides ELBION AG (DE) 2005-09-21 CN disclosed
EP-1525197-A1 METHOD FOR PRODUCING HIGHLY PURE HYDROXY INDOLYL GLYOXYLIC ACID AMIDES Elbion AG (DE) 2005-04-27 EP disclosed
WO-2004013127-A1 METHOD FOR PRODUCING HIGHLY PURE HYDROXY INDOLYL GLYOXYLIC ACID AMIDES ELBION AG (DE) 2004-02-12 WO disclosed