SCHEMBL29952041

SCHEMBL29952041

OB(O)c1ccnc(C(F)(F)F)c1O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MGLL Q99685 1/20 0.32
DYRK1A Q13627 1/20 0.31
LMNA P02545 1/20 0.30
TSHR P16473 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
SCHEMBL29955831 0.81 HTT (0.35) HTTHSD17B10MGLLDYRK1A
SCHEMBL25707523 0.81 HTT (0.35) HTTHSD17B10MGLLDYRK1A
SCHEMBL30050607 0.81 HTT (0.35) HTTHSD17B10MGLLDYRK1ALMNA
SCHEMBL29953887 0.79 HTT (0.34) HTTHSD17B10MGLLDYRK1A
SCHEMBL29951895 0.79 HTT (0.41) HTTHSD17B10MGLLDYRK1A
SCHEMBL29954197 0.77 DYRK1A (0.38) HTTHSD17B10DYRK1ATSHR
SCHEMBL2563010 0.75 HTT (0.32) HTTHSD17B10
SCHEMBL956094 0.74 HTT (0.36) HTTHSD17B10MGLL
SCHEMBL29889397 0.74 HTT (0.36) HTTHSD17B10MGLL
SCHEMBL29956261 0.74 NAPRT (0.31)

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