SCHEMBL29957896

SCHEMBL29957896

Cc1ccc(S(=O)(=O)C(F)(F)F)cc1B(O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
ALDH1A1 P00352 3/20 0.47
EPAS1 Q99814 3/20 0.44
LMNA P02545 5/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ESPL1 Q14674 1/20 0.43
KIF11 P52732 2/20 0.38
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TRPV3 Q8NET8 1/20 0.37
RECQL P46063 1/20 0.37
EPHX2 P34913 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTPRZ1 P23471 1/20 0.36

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
SCHEMBL12537977 1.00 POLB (0.48) POLBALDH1A1EPAS1LMNAHTT
SCHEMBL3825600 0.86 POLB (0.48) POLBALDH1A1EPAS1LMNAHTT
SCHEMBL21983964 0.80 LMNA (0.55) POLBALDH1A1EPAS1LMNAHTT
SCHEMBL21728893 0.79 MEN1 (0.53) POLBALDH1A1EPAS1LMNAHTT
SCHEMBL520997 0.77 CA2 (0.47) POLBLMNAHTTMEN1KMT2A
SCHEMBL29217918 0.77 ALDH1A1 (0.52) POLBALDH1A1EPAS1LMNAHTT
SCHEMBL24456745 0.75 EPAS1 (0.59) POLBALDH1A1EPAS1LMNAHTT
SCHEMBL11409224 0.75 ALDH1A1 (0.50) POLBALDH1A1EPAS1LMNAHTT
SCHEMBL13556573 0.75 ALDH1A1 (0.70) POLBALDH1A1EPAS1LMNAHTT
SCHEMBL12537974 0.74 ALDH1A1 (0.47) ALDH1A1LMNAHTTSMN1; SMN2KMT2A

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