SCHEMBL30450105

SCHEMBL30450105

O=C(O)CNC(=O)c1ccc([18F])cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.67
MAPT P10636 2/20 0.67
HIF1A Q16665 1/20 0.67
SLC22A6 Q4U2R8 1/20 0.67
SLC22A8 Q8TCC7 1/20 0.67
ATM Q13315 1/20 0.60
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
NPSR1 Q6W5P4 1/20 0.55
USP5 P45974 1/20 0.54
SLC6A9 P48067 5/20 0.52
SOST Q9BQB4 1/20 0.51
SLC6A5 Q9Y345 2/20 0.50
MAPK1 P28482 1/20 0.50
MITF O75030 1/20 0.50
EGLN1 Q9GZT9 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL1742166 1.00 KDM4E (0.67) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL26566648 0.94 KDM4E (0.61) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL26117094 0.90 ATM (0.63) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL11107537 0.89 KDM4E (0.80) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL24224263 0.83 KDM4E (0.71) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL13113221 0.82 NPC1 (0.51) KDM4ENPC1RAB9ASLC6A9SLC6A5
SCHEMBL4587114 0.82 NPC1 (0.51) KDM4EMAPTNPC1RAB9ANPSR1
SCHEMBL833975 0.82 ITGB3 (0.56) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL28484131 0.82 ALDH1A1 (0.73) KDM4EMAPTNPC1RAB9ANPSR1
SCHEMBL23014282 0.82 ALDH1A1 (0.73) KDM4EMAPTNPC1RAB9ANPSR1

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
CN-110204484-B The method comprises the following steps of 18 F-labeled fluoropyridine formylglycine, and preparation method and application thereof 山西医科大学第一医院 2023-07-21 CN disclosed