SCHEMBL27831041

SCHEMBL27831041

[CH2]C(O)(c1ccccc1[N+](=O)[O-])N1CCN(C)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.44
▸ SIRT6 Q8N6T7 4/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.43
▸ HRH4 Q9H3N8 2/20 0.42
▸ KMT2A Q03164 1/20 0.39
▸ HTR6 P50406 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ L3MBTL1 Q9Y468 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
SCHEMBL27831059 0.83 NPSR1 (0.40) SIRT6NPSR1HTR6MAPTLMNA
SCHEMBL27831055 0.75 KMT2A (0.39) HTTNPSR1HRH4KMT2A
SCHEMBL8331183 0.70 NPSR1 (0.60) HTTNPSR1KMT2AALDH1A1
SCHEMBL2956140 0.70 NPSR1 (0.60) HTTNPSR1KMT2AALDH1A1
SCHEMBL8733188 0.70 NPSR1 (0.56) HTTNPSR1KMT2AALDH1A1L3MBTL1
SCHEMBL5964871 0.69 NPSR1 (0.59) HTTNPSR1MAPTALDH1A1L3MBTL1
SCHEMBL3064690 0.68 HTT (0.68) HTTNPSR1KMT2AMAPTLMNA
SCHEMBL29426374 0.68 HTT (0.68) HTTNPSR1KMT2AMAPTLMNA
SCHEMBL2825149 0.68 KDM4E (0.47) HTTNPSR1KMT2AMAPTLMNA
SCHEMBL7528689 0.67 NPSR1 (0.57) HTTNPSR1KMT2AALDH1A1

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-102093319-B 3-aryl-4-(2-glycosyl/amino ethyoxyl)-2(5H)-furanone compound, preparation method thereof and application thereof UNIV JISHOU 2013-01-23 — — CN disclosed
CN-102093319-A 3-aryl-4-(2-glycosyl/amino ethyoxyl)-2(5H)-furanone compound, preparation method thereof and application thereof UNIV JISHOU 2011-06-15 — — CN disclosed
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