SCHEMBL29952005

SCHEMBL29952005

COc1ccc2c(cc(B(O)O)n2S(=O)(=O)c2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 3/20 0.41
NOD1 Q9Y239 3/20 0.41
HTR6 P50406 2/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH3A1 P30838 7/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SRC P12931 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL5716679 0.81 HDAC3 (0.51) CXCL8NOD1HTR6POLBL3MBTL1
SCHEMBL3530924 0.77 PPARG (0.58) ALDH1A1
SCHEMBL3529707 0.76 PPARG (0.62)
SCHEMBL5716686 0.76 MAPT (0.45) CXCL8NOD1POLBALDH3A1ALDH1A1
SCHEMBL5716683 0.75 CA12 (0.44) CXCL8NOD1HTR6POLBL3MBTL1
SCHEMBL5716691 0.74 ALDH3A1 (0.41) CXCL8NOD1HTR6POLBL3MBTL1
SCHEMBL5716773 0.74 TUBB4A (0.52) ALDH1A1MEN1KMT2AHDAC3HDAC4
SCHEMBL5716735 0.74 HDAC3 (0.59) CXCL8NOD1HTR6POLBL3MBTL1
SCHEMBL2932847 0.74 CA12 (0.51) CXCL8NOD1HTR6ALDH1A1HPGD
SCHEMBL29953049 0.74 CA12 (0.51) CXCL8NOD1HTR6ALDH1A1HPGD

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