SCHEMBL28137263

SCHEMBL28137263

O=CNC1CCN(NC=O)CC1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADH1B P00325 4/20 0.56
▸ ADH1A P07327 4/20 0.56
▸ ADH1C P00326 3/20 0.52
▸ ADH7 P40394 2/20 0.52
▸ ADH4 P08319 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
SCHEMBL7516381 0.76 ADH1B (0.62) ADH1BADH1AADH1CADH7ADH4
SCHEMBL28310284 0.75 ADH1B (0.50) ADH1BADH1AADH1CADH7ADH4
SCHEMBL27578436 0.74 ADH1B (0.59) ADH1BADH1AADH1CADH7ADH4
SCHEMBL22866378 0.74 ADH1B (0.59) ADH1BADH1AADH1CADH7ADH4
SCHEMBL769923 0.74 ADH1B (0.59) ADH1BADH1AADH1CADH7ADH4
SCHEMBL24699616 0.74 ADH1B (0.59) ADH1BADH1AADH1CADH7ADH4
SCHEMBL7521025 0.74 ADH1B (0.59) ADH1BADH1AADH1CADH7ADH4
SCHEMBL26105401 0.74 CARM1 (0.34) —
SCHEMBL3893979 0.74 GPR119 (0.34) —
SCHEMBL19658308 0.74 ADH1B (1.00) ADH1BADH1AADH1CADH7ADH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106632133-B Thiazole derivative and the preparation method and application thereof 山东大学 2019-04-16 — — CN claimed
CN-106632133-A Novel thiazole derivatives, and preparation method and application thereof 山东大学 2017-05-10 — — CN claimed
CN-106632133-B Thiazole derivative and the preparation method and application thereof 山东大学 2019-04-16 — — CN disclosed
CN-106588911-B A kind of novel thiazole class compound XQH-3-6 of Streptococcus mutans and its application 山东大学 2019-01-18 — — CN disclosed
CN-106632133-A Novel thiazole derivatives, and preparation method and application thereof 山东大学 2017-05-10 — — CN disclosed
CN-106588911-A Novel thiazole compound XQH-3-6 resisting streptococcus mutans and application of compound 山东大学 2017-04-26 — — CN disclosed
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