SCHEMBL29957626

SCHEMBL29957626

Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(B(O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
PTGDR2 Q9Y5Y4 2/20 0.49
TP53 P04637 2/20 0.49
POLB P06746 2/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALOX15 P16050 2/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 3/20 0.48
FFAR4 Q5NUL3 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PKM P14618 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL2176669 0.84 LMNA (0.61) MAPTTP53POLBLMNAALDH1A1
SCHEMBL2175966 0.81 TSHR (0.72) MAPTPTGDR2TP53POLBLMNA
SCHEMBL2178383 0.81 KDM4E (0.58) MAPTPTGDR2TP53POLBLMNA
SCHEMBL12406983 0.81 ALDH1A1 (0.55) MAPTPTGDR2TP53POLBLMNA
SCHEMBL2175745 0.81 MAPT (0.53) MAPTPTGDR2TP53POLBLMNA
SCHEMBL12407072 0.79 MAPT (0.54) MAPTPTGDR2TP53POLBLMNA
SCHEMBL2174600 0.78 FFAR4 (0.61) MAPTPOLBLMNAALDH1A1GAA
SCHEMBL12406982 0.78 PTGES2 (0.56) MAPTTP53POLBLMNAALDH1A1
SCHEMBL12406980 0.78 MAPT (0.53) MAPTPTGDR2TP53POLBLMNA
SCHEMBL12485134 0.78 GLO1 (0.54) MAPTTP53POLBLMNAALDH1A1

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