SCHEMBL29952922

SCHEMBL29952922

O=S(=O)(c1ccccc1)n1c(B(O)O)cc2cnccc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
RECQL P46063 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SRC P12931 2/20 0.40
HTR6 P50406 4/20 0.39
CXCL8 P10145 1/20 0.39
NOD1 Q9Y239 1/20 0.39
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
PPARG P37231 3/20 0.36
PPARA Q07869 3/20 0.36
PPARD Q03181 2/20 0.36
PIK3C3 Q8NEB9 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.34
NTRK1 P04629 1/20 0.34
IDE P14735 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL29953049 0.83 CA12 (0.51) ALDH1A1RECQLLMNAMAPTSRC
SCHEMBL2932847 0.83 CA12 (0.51) ALDH1A1RECQLLMNAMAPTSRC
SCHEMBL10555991 0.80 ALDH1A1 (0.54) ALDH1A1RECQLLMNAMAPTSRC
SCHEMBL21147084 0.80 ALDH1A1 (0.41) ALDH1A1RECQLLMNAMAPTSRC
SCHEMBL10557200 0.80 ALDH1A1 (0.41) ALDH1A1RECQLLMNAMAPTSRC
SCHEMBL10553874 0.78 RECQL (0.52) ALDH1A1RECQLLMNAMAPTSRC
SCHEMBL9737416 0.78 ALDH1A1 (0.52) ALDH1A1RECQLLMNAMAPTSRC
SCHEMBL10551779 0.77 HTR6 (0.40) ALDH1A1RECQLLMNAMAPTSRC
SCHEMBL10553405 0.77 RECQL (0.43) ALDH1A1RECQLLMNAMAPTSRC
SCHEMBL30765549 0.76 PPARG (0.44) ALDH1A1RECQLLMNAMAPTSRC

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