SCHEMBL29957236

SCHEMBL29957236

O=Cc1nc2ccc(OC(F)(F)F)cc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RUNX1 Q01196 6/20 0.52
TRPV1 Q8NER1 6/20 0.52
CBFB Q13951 3/20 0.52
SCN10A Q9Y5Y9 1/20 0.50
EGLN1 Q9GZT9 1/20 0.48
PDE10A Q9Y233 1/20 0.46
KIF11 P52732 1/20 0.43

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
SCHEMBL18765107 1.00 RUNX1 (0.52) RUNX1TRPV1CBFBSCN10AEGLN1
SCHEMBL18765292 0.80 ALDH1A1 (0.54) RUNX1CBFBEGLN1
SCHEMBL29957963 0.80 ALDH1A1 (0.54) RUNX1CBFBEGLN1
SCHEMBL18190875 0.77 RUNX1 (0.56) RUNX1TRPV1CBFBSCN10AEGLN1
SCHEMBL13219327 0.77 RUNX1 (0.56) RUNX1TRPV1CBFBSCN10AEGLN1
SCHEMBL9674405 0.77 KDM4E (0.58) RUNX1TRPV1CBFBSCN10AEGLN1
SCHEMBL5807305 0.77 RUNX1 (0.56) RUNX1TRPV1CBFBSCN10AEGLN1
SCHEMBL10146526 0.77 TRPV1 (0.59) RUNX1TRPV1CBFBSCN10AEGLN1
SCHEMBL5807225 0.77 SCN10A (0.56) RUNX1TRPV1CBFBSCN10AEGLN1
SCHEMBL32674484 0.77 RUNX1 (0.56) RUNX1TRPV1CBFBSCN10AEGLN1

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