SCHEMBL28230784

SCHEMBL28230784

CC1COC(CCNC(=O)OC(C)(C)C)=N1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 3/20 0.41
GFER P55789 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
EPHX1 P07099 1/20 0.40
MAN2B1 O00754 1/20 0.39
NAMPT P43490 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL28230845 0.86 L3MBTL1 (0.41) HTTGFEREPHX1MAN2B1NAMPT
SCHEMBL14744109 0.83 HTT (0.43) HTTNPSR1ALDH1A1GFERTDP1
SCHEMBL14737595 0.83 HTT (0.43) HTTNPSR1ALDH1A1GFERTDP1
SCHEMBL28231758 0.77 HTT (0.46) HTTNPSR1ALDH1A1GFERTDP1
SCHEMBL6233101 0.76 HTT (0.45) HTTNPSR1ALDH1A1GFERTDP1
SCHEMBL6233102 0.76 HTT (0.45) HTTNPSR1ALDH1A1GFERTDP1
SCHEMBL28231799 0.75 HTT (0.47) HTTNPSR1ALDH1A1GFERTDP1
SCHEMBL18765356 0.74 HTT (0.43) HTTNPSR1ALDH1A1GFERTDP1
SCHEMBL18764829 0.73 HTT (0.45) HTTNPSR1ALDH1A1GFERTDP1
SCHEMBL18764623 0.73 HTT (0.43) HTTNPSR1ALDH1A1GFERTDP1

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-108290878-A NOVEL FERROPORTIN INHIBITORS 威佛(国际)股份公司 2018-07-17 CN disclosed