SCHEMBL29956045

SCHEMBL29956045

CCN(CC)S(=O)(=O)c1ccc(B(O)O)c(C)c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.51
LMNA P02545 4/20 0.51
HTT P42858 3/20 0.51
ALDH1A1 P00352 9/20 0.50
MAPT P10636 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
TSHR P16473 2/20 0.50
SERPINE1 P05121 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 1/20 0.50
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
VCAM1 P19320 1/20 0.46

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
SCHEMBL16600125 1.00 SMN1; SMN2 (0.51) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL29956017 0.87 ALDH1A1 (0.54) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL1460104 0.81 ALDH1A1 (0.43) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL29954218 0.81 ALDH1A1 (0.43) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL30989179 0.77 ALDH1A1 (0.62) LMNAALDH1A1MAPTTSHRKDM4E
SCHEMBL14419604 0.77 POLB (0.56) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL12077562 0.76 HTT (0.63) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL2634586 0.75 ENPP2 (0.53) SMN1; SMN2LMNAALDH1A1
SCHEMBL2317288 0.75 ALDH1A1 (0.65) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL16195782 0.74 ALDH1A1 (0.54) SMN1; SMN2LMNAHTTALDH1A1TSHR

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