SCHEMBL29954293

SCHEMBL29954293

CNS(=O)(=O)Cc1ccc(B(O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.50
LIPG Q9Y5X9 7/20 0.50
ENPP2 Q13822 1/20 0.47
CA2 P00918 3/20 0.44
CA1 P00915 2/20 0.44
F11 P03951 1/20 0.44
ALKBH5 Q6P6C2 1/20 0.43
TRPV1 Q8NER1 3/20 0.42
MGLL Q99685 1/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
CSK P41240 1/20 0.40

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
SCHEMBL16738666 0.80 ESR1 (0.46) ENPP2CA2CA1ALKBH5MMP1
SCHEMBL2634582 0.80 ENPP2 (0.55) LPLLIPGENPP2CA2CA1
SCHEMBL18498925 0.79 LPL (0.52) LPLLIPGENPP2CA2CA1
SCHEMBL8261072 0.78 HPGD (0.48) LPLLIPGCA2CA1ALKBH5
SCHEMBL9046172 0.78 GAA (0.48) CA2CA1ALKBH5MMP1MMP2
SCHEMBL24140260 0.76 HPGD (0.47) CA2CA1ALKBH5MMP1MMP2
SCHEMBL7145768 0.76 ALKBH5 (0.42) CA2CA1ALKBH5MMP1MMP2
SCHEMBL4573162 0.76 ALKBH5 (0.42) CA2CA1ALKBH5MMP1MMP2
SCHEMBL631823 0.76 CYP3A4 (0.46) CA2CA1ALKBH5MMP1MMP2
SCHEMBL10153979 0.76 KMT2A (0.53) CA2CA1ALKBH5MMP1MMP2

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