SCHEMBL29856185

SCHEMBL29856185

O=C(c1cc(Br)c(O)c(Br)c1)c1cn(C2CCOCC2)c2cnccc12

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.51
GSK3B P49841 3/20 0.51
KCNH2 Q12809 4/20 0.49
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
KDM4C Q9H3R0 3/20 0.39
NTRK1 P04629 9/20 0.37
SPR P35270 1/20 0.36

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
SCHEMBL29856313 0.85 DYRK1A (0.55) DYRK1AGSK3BKCNH2KDM4CNTRK1
SCHEMBL4859713 0.77 DYRK1A (0.67) DYRK1AGSK3BKCNH2KDM4C
SCHEMBL31165814 0.77 DYRK1A (0.67) DYRK1AGSK3BKCNH2KDM4C
SCHEMBL29856428 0.77 NTRK1 (0.46) DYRK1AGSK3BSLC22A6SLC22A8SLC22A12
SCHEMBL4858853 0.70 DYRK1A (0.57) DYRK1AGSK3BKCNH2KDM4C
SCHEMBL21351692 0.70 DYRK1A (0.51) DYRK1AGSK3BKCNH2KDM4CNTRK1
SCHEMBL25421887 0.69 DYRK1A (0.63) DYRK1AGSK3BKCNH2KDM4C
SCHEMBL29856309 0.68 SLC22A12 (0.39) SLC22A6SLC22A8SLC22A12
SCHEMBL25646426 0.68 DYRK1A (1.00) DYRK1AGSK3BKCNH2KDM4C
SCHEMBL29856228 0.66 ADORA3 (0.46) SLC22A6SLC22A8SLC22A12

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
WO-2022169974-A1 INHIBITORS OF URAT1 AND PHARMACEUTICAL USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2022-08-11 WO disclosed