SCHEMBL29953706

SCHEMBL29953706

CNS(=O)(=O)c1ccc(B(O)O)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA3 P07451 2/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
CA5A P35218 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA13 Q8N1Q1 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA5B Q9Y2D0 2/20 0.44
TAS2R14 Q9NYV8 1/20 0.44
HTT P42858 1/20 0.43
ALDH1A1 P00352 2/20 0.42
VCAM1 P19320 1/20 0.41

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
SCHEMBL2905511 1.00 LMNA (0.56) LMNASMN1; SMN2GAAL3MBTL1CA12
SCHEMBL29958209 0.81 ALDH1A1 (0.47) GAAALDH1A1KDM4E
SCHEMBL16600609 0.81 ALDH1A1 (0.47) GAAALDH1A1KDM4E
SCHEMBL29956502 0.81 ALDH1A1 (0.54) LMNASMN1; SMN2CA1CA2CA9
SCHEMBL16195782 0.81 ALDH1A1 (0.54) LMNASMN1; SMN2CA1CA2CA9
SCHEMBL2634586 0.79 ENPP2 (0.53) LMNASMN1; SMN2ALDH1A1PKM
SCHEMBL16195567 0.79 ALDH1A1 (0.61) LMNASMN1; SMN2GAAALDH1A1MEN1
SCHEMBL29952763 0.79 CA12 (0.51) LMNAGAACA12CA1CA2
SCHEMBL29956105 0.79 ALDH1A1 (0.61) LMNASMN1; SMN2GAAALDH1A1MEN1
SCHEMBL10154281 0.79 LMNA (0.71) LMNASMN1; SMN2GAAL3MBTL1CA12

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