SCHEMBL29956029

SCHEMBL29956029

O=S(=O)(c1ccccc1)n1ccc2c(B(O)O)cccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.67
HTR1A P08908 3/20 0.59
DRD2 P14416 3/20 0.59
HTR2A P28223 1/20 0.59
DRD3 P35462 3/20 0.56
HTR1D P28221 2/20 0.56
HTR1B P28222 2/20 0.56
HTR1F P30939 2/20 0.56
HTR7 P34969 2/20 0.56
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52

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
SCHEMBL15757545 1.00 HTR6 (0.67) HTR6HTR1ADRD2HTR2ADRD3
SCHEMBL31092832 0.89 HTR6 (0.58) HTR6HTR1ADRD2HTR2AHTT
SCHEMBL16916800 0.83 PIK3C3 (0.53) HTR6HTR1ADRD2HTR2ADRD3
SCHEMBL819444 0.82 LMNA (0.62) HTR6HTR1ADRD2DRD3HTR1D
SCHEMBL29737165 0.82 LMNA (0.62) HTR6HTR1ADRD2DRD3HTR1D
SCHEMBL5758119 0.80 HTR6 (1.00) HTR6HTR1ADRD2HTR2ADRD3
SCHEMBL3621599 0.80 HTR6 (0.68) HTR6HTR1ADRD2HTR2ADRD3
SCHEMBL4023835 0.79 HTR6 (0.67) HTR6HTR1ADRD2HTR2ADRD3
SCHEMBL4029770 0.78 HTR6 (0.72) HTR6HTR1ADRD2HTR2ADRD3
SCHEMBL27849149 0.78 HTR6 (0.68) HTR6HTR1ADRD2HTR2ADRD3

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