SCHEMBL29952706

SCHEMBL29952706

CC(=O)Nc1ccc(SCCC=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.59
RAB9A P51151 4/20 0.56
NPC1 O15118 1/20 0.56
USP2 O75604 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 1/20 0.46
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 1/20 0.46
BRD4 O60885 1/20 0.46
NR1I2 O75469 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MB P02144 1/20 0.46
CYP1A1 P04798 1/20 0.46
CA3 P07451 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
SCHEMBL9518238 0.86 GAA (0.71) GAARAB9ANPC1USP2SMN1; SMN2
SCHEMBL29951045 0.83 GAA (0.63) GAARAB9ANPC1USP2SMN1; SMN2
SCHEMBL11841835 0.81 GAA (0.65) GAARAB9ANPC1USP2SMN1; SMN2
SCHEMBL8685308 0.80 GAA (0.63) GAARAB9ANPC1USP2SMN1; SMN2
SCHEMBL464521 0.79 RAB9A (0.65) GAARAB9ANPC1USP2SMN1; SMN2
SCHEMBL8577242 0.79 GAA (0.71) GAARAB9ANPC1USP2SMN1; SMN2
SCHEMBL11388934 0.79 RAB9A (0.65) GAARAB9ANPC1USP2SMN1; SMN2
SCHEMBL9221638 0.79 MTNR1A (0.68) GAARAB9ANPC1USP2SMN1; SMN2
SCHEMBL6033907 0.78 GAA (0.69) GAARAB9ANPC1USP2SMN1; SMN2
SCHEMBL414342 0.77 RAB9A (0.72) GAARAB9ANPC1USP2SMN1; 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