SCHEMBL29952680

SCHEMBL29952680

N#Cc1cccc2sc(B(O)O)cc12

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.49
MGLL Q99685 1/20 0.47
SLC22A12 Q96S37 1/20 0.38
ENPP2 Q13822 1/20 0.36
CYP2A6 P11509 1/20 0.36
HTT P42858 1/20 0.33

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
SCHEMBL3966668 1.00 SLC9A1 (0.49) SLC9A1MGLLSLC22A12ENPP2CYP2A6
SCHEMBL14332411 0.75 MGLL (0.53) SLC9A1MGLL
SCHEMBL16710899 0.74 MGLL (0.52) SLC9A1MGLLCYP2A6
SCHEMBL18386495 0.74 SLC9A1 (0.49) SLC9A1SLC22A12CYP2A6HTT
SCHEMBL3971229 0.73 MGLL (0.47) SLC9A1MGLLENPP2HTT
SCHEMBL29954028 0.73 MGLL (0.47) SLC9A1MGLLENPP2HTT
SCHEMBL31117978 0.71 SLC9A1 (0.72) SLC9A1
SCHEMBL829531 0.71 SLC9A1 (0.60) SLC9A1SLC22A12
SCHEMBL2083872 0.70 MGLL (0.47) MGLL
SCHEMBL29957801 0.70 HDAC3 (0.54) SLC9A1MGLLENPP2

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