SCHEMBL29952669

SCHEMBL29952669

CS(=O)(=O)n1cccc1B(O)O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.35
HTR6 P50406 1/20 0.35
APEH P13798 1/20 0.31
PPME1 Q9Y570 1/20 0.31
RAPGEF4 Q8WZA2 4/20 0.31

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
SCHEMBL29954478 0.76 PPME1 (0.48) HTR6APEHPPME1RAPGEF4
SCHEMBL29512049 0.72 HTR6 (0.38) ENPP2HTR6APEHPPME1RAPGEF4
SCHEMBL15155241 0.70 HTR6 (0.39) HTR6APEHPPME1RAPGEF4
SCHEMBL5776603 0.68 HTR6 (0.38) HTR6APEHPPME1RAPGEF4
SCHEMBL20524816 0.68 ALDH1A1 (0.40)
SCHEMBL2465489 0.68 RAPGEF4 (0.41) HTR6APEHPPME1RAPGEF4
SCHEMBL28125877 0.68 POLB (0.41) HTR6APEHPPME1
SCHEMBL15176440 0.68 BAZ2B (0.40) HTR6APEHPPME1
SCHEMBL317152 0.67
SCHEMBL28125964 0.67 LMNA (0.39) HTR6APEHPPME1

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