SCHEMBL1825565

SCHEMBL1825565

[c]1nc(-c2cncs2)ns1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.32
DYRK1A Q13627 2/20 0.31
DYRK2 Q92630 1/20 0.30
DYRK1B Q9Y463 1/20 0.30

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
SCHEMBL571374 0.69 HDAC8 (0.50) HDAC8DYRK1ADYRK2DYRK1B
SCHEMBL17701192 0.67 HDAC8 (0.34) HDAC8DYRK1ADYRK2DYRK1B
SCHEMBL11036129 0.67 HDAC8 (0.31) HDAC8DYRK1A
SCHEMBL17701239 0.65 CD38 (0.32) HDAC8
SCHEMBL17701238 0.65 DYRK1A (0.33) HDAC8DYRK1ADYRK2DYRK1B
SCHEMBL9454292 0.64 DYRK1A (0.34) HDAC8DYRK1ADYRK2DYRK1B
SCHEMBL26635424 0.63 HDAC8 (0.44) HDAC8DYRK1ADYRK2DYRK1B
SCHEMBL12945553 0.63 CD38 (0.35) HDAC8DYRK1ADYRK2DYRK1B
SCHEMBL9077755 0.61 HDAC8 (0.33) HDAC8DYRK1ADYRK2DYRK1B
SCHEMBL7221447 0.61 NPC1 (0.41)

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
EP-2493844-A2 HALOGENALKYL-SUBSTITUTED AMIDES USED AS INSECTICIDES AND ACARICIDES Bayer CropScience AG (DE) 2012-09-05 EP disclosed
WO-2011054436-A2 HALOGENALKYL-SUBSTITUTED AMIDES USED AS INSECTICIDES AND ACARICIDES BAYER CROPSCIENCE AG (DE) 2011-05-12 WO disclosed