SCHEMBL29958161

SCHEMBL29958161

CN(C)S(=O)(=O)Cc1ccc(B(O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.48
LIPG Q9Y5X9 7/20 0.48
ENPP2 Q13822 2/20 0.46
CA2 P00918 2/20 0.43
CA1 P00915 1/20 0.43
F11 P03951 1/20 0.42
TRPV1 Q8NER1 3/20 0.41
MGLL Q99685 1/20 0.41
NPY5R Q15761 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CSK P41240 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL2634582 0.79 ENPP2 (0.55) LPLLIPGENPP2CA2CA1
SCHEMBL18498925 0.78 LPL (0.52) LPLLIPGENPP2CA2CA1
SCHEMBL4491486 0.76 HPGD (0.53) CA2NPY5RHSP90AA1KDM4E
SCHEMBL10286193 0.76 KMT2A (0.46) CA2CA1NPY5R
SCHEMBL29954293 0.76 LPL (0.50) LPLLIPGENPP2CA2CA1
SCHEMBL9250331 0.75 TAAR1 (0.45) NPY5RKDM4E
SCHEMBL4349128 0.75 NPY5R (0.43) CA2CA1NPY5RHSP90AA1
SCHEMBL17029652 0.74 NPY5R (0.46) CA2CA1NPY5RHSP90AA1KDM4E
SCHEMBL3174757 0.74 HSP90AA1 (0.57) CA2CA1NPY5RHSP90AA1
SCHEMBL6180312 0.73 RORC (0.48) ENPP2NPY5R

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