SCHEMBL11036129

SCHEMBL11036129

[c]1nc(-c2cncs2)no1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.31
DYRK1A Q13627 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 0.68 HDAC8 (0.50) HDAC8DYRK1A
SCHEMBL6797712 0.67 PPARA (0.35) HDAC8DYRK1A
SCHEMBL1825565 0.67 HDAC8 (0.32) HDAC8DYRK1A
SCHEMBL17701192 0.65 HDAC8 (0.34) HDAC8DYRK1A
SCHEMBL18437163 0.65 HDAC8 (0.31) HDAC8DYRK1A
SCHEMBL3694038 0.64 DYRK1A (0.42) HDAC8DYRK1A
SCHEMBL17701239 0.64 CD38 (0.32) HDAC8
SCHEMBL17701238 0.64 DYRK1A (0.33) HDAC8DYRK1A
SCHEMBL21851359 0.64 KDM4E (0.45)
SCHEMBL6019283 0.61 HDAC8 (0.31) HDAC8DYRK1A

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
EP-0162224-A2 Cyclohexenone derivatives and their use for combating undesirable vegetation BASF Aktiengesellschaft (DE) 1985-11-27 EP disclosed