SCHEMBL29957036

SCHEMBL29957036

CS(=O)(=O)n1ccc(B(O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.44
PKM P14618 1/20 0.34
CA2 P00918 1/20 0.32
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 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
SCHEMBL19650142 0.74 CA2 (0.31) ENPP2CA2LPLLIPG
SCHEMBL22283969 0.68 ENPP2 (0.40) ENPP2
SCHEMBL23705578 0.68 PKM (0.62) PKM
SCHEMBL21241997 0.68 PKM (0.49) PKMCA2CA6CA5ACA7
SCHEMBL5951421 0.67
SCHEMBL22306542 0.67 PKM (0.44) PKMCA2CA14
SCHEMBL29958168 0.65 CA2 (0.33) ENPP2CA2LPLLIPGCA4
SCHEMBL20000141 0.65 ALDH1A1 (0.33)
SCHEMBL29953862 0.65 ENPP2 (0.32) ENPP2
SCHEMBL31747913 0.64 KMT2A (0.33) CA2CA14

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