SCHEMBL29951045

SCHEMBL29951045

CC(=O)Nc1ccc(SCC=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.63
USP2 O75604 1/20 0.54
RAB9A P51151 3/20 0.51
NPC1 O15118 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
CA12 O43570 1/20 0.48
BRD4 O60885 1/20 0.48
NR1I2 O75469 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MB P02144 1/20 0.48
CYP1A1 P04798 1/20 0.48
CA3 P07451 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL21750687 0.85 GAA (0.61) GAAUSP2RAB9ANPC1SMN1; SMN2
SCHEMBL29952706 0.83 GAA (0.59) GAAUSP2RAB9ANPC1SMN1; SMN2
SCHEMBL9518238 0.82 GAA (0.71) GAAUSP2RAB9ANPC1SMN1; SMN2
SCHEMBL6033907 0.80 GAA (0.69) GAAUSP2RAB9ANPC1SMN1; SMN2
SCHEMBL313920 0.77 GAA (0.52) GAAUSP2RAB9ANPC1SMN1; SMN2
SCHEMBL11841835 0.77 GAA (0.65) GAAUSP2RAB9ANPC1SMN1; SMN2
SCHEMBL11002802 0.77 GAA (1.00) GAAUSP2RAB9ANPC1SMN1; SMN2
SCHEMBL9751770 0.76 GAA (0.63) GAAUSP2RAB9ANPC1SMN1; SMN2
SCHEMBL8685308 0.76 GAA (0.63) GAAUSP2RAB9ANPC1SMN1; SMN2
SCHEMBL5026270 0.75 SMN1; SMN2 (0.64) GAAUSP2RAB9ANPC1SMN1; SMN2

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