SCHEMBL28046768

SCHEMBL28046768

CC(C)(C)OC(=O)Nn1ccncc1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.40
NAMPT P43490 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CYP17A1 P05093 3/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 1/20 0.35
CYP3A4 P08684 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
LATS1 O95835 3/20 0.33
TRPA1 O75762 1/20 0.33
HTT P42858 1/20 0.32
LATS2 Q9NRM7 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
ATR Q13535 1/20 0.32

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
SCHEMBL2698203 0.71 L3MBTL1 (0.44) RAB9ANAMPTL3MBTL1CYP17A1CTSL
SCHEMBL27353303 0.70 CTSL (0.37) CTSLCTSBGPR119
SCHEMBL2371450 0.69 CTSL (0.34) RAB9ANAMPTL3MBTL1CYP17A1CTSL
SCHEMBL28162958 0.69 IDO1 (0.38) RAB9ANAMPTL3MBTL1CYP17A1CTSL
SCHEMBL28696225 0.68 RAB9A (0.40) RAB9ANAMPTL3MBTL1CYP17A1CTSL
SCHEMBL15507032 0.68 ABCB1 (0.36) CYP17A1ATR
SCHEMBL2689360 0.67 HTT (0.44) RAB9ANAMPTCYP3A4HTTGPR119
SCHEMBL23878447 0.67 PCSK9 (0.35) L3MBTL1CYP17A1CTSLNFKB1NFKB2
SCHEMBL9923086 0.67 RAB9A (0.36) RAB9AHTT
SCHEMBL29041112 0.66 RAB9A (0.37) RAB9ANAMPTL3MBTL1CYP17A1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105111155-B A kind of synthetic method of 4,7- diaza spiro [2.5] octane -7- t-butyl formate 武汉工程大学 2018-12-14 CN disclosed
CN-105111155-A Synthesis method of tert-butyl 4,7-diazaspiro[2.5]octyl-7-formate WUHAN INST TECHNOLOGY 2015-12-02 CN disclosed