SCHEMBL29951895

SCHEMBL29951895

Nc1c(B(O)O)ccnc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NOS3 P29474 2/20 0.36
NOS2 P35228 2/20 0.36
DYRK1A Q13627 1/20 0.33
POLB P06746 1/20 0.33
MGLL Q99685 1/20 0.31
LOXL2 Q9Y4K0 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
SCHEMBL30050607 0.79 HTT (0.35) HTTHSD17B10DYRK1AMGLL
SCHEMBL25707523 0.79 HTT (0.35) HTTHSD17B10DYRK1AMGLL
SCHEMBL29955831 0.79 HTT (0.35) HTTHSD17B10DYRK1AMGLL
SCHEMBL29952041 0.79 HTT (0.35) HTTHSD17B10DYRK1AMGLL
SCHEMBL29953887 0.78 HTT (0.34) HTTHSD17B10DYRK1AMGLL
SCHEMBL29954197 0.75 DYRK1A (0.38) HTTHSD17B10DYRK1A
SCHEMBL21710320 0.75 NOS3 (0.34) NOS3NOS2
SCHEMBL29953415 0.74 NOS2 (0.36) HTTHSD17B10NOS3NOS2MGLL
SCHEMBL157196 0.74 HTT (0.50) HTTHSD17B10NOS3NOS2DYRK1A
SCHEMBL18340930 0.74 NOS2 (0.52) NOS3NOS2

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed