SCHEMBL25902209

SCHEMBL25902209

C[C@@H]1Cc2ccc(CN3CCN(C4=NN=C(NC=O)CS4)CC3)cc2O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 4/20 0.35
KCNJ1 P48048 1/20 0.32
PARP1 P09874 4/20 0.31
DRD2 P14416 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2D6 P10635 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
NFKB1 P19838 1/20 0.31
SLC6A2 P23975 1/20 0.31
MAPK1 P28482 1/20 0.31
SLC6A4 P31645 1/20 0.31
CYP2C19 P33261 1/20 0.31
ADRA1A P35348 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL23314224 0.70 KCNJ1 (0.41) KCNJ1PARP1DRD2CYP2D6DRD4
SCHEMBL23314232 0.69 OGA (0.68) OGA
SCHEMBL23565448 0.69 OGA (0.68) OGA
SCHEMBL23314242 0.63 OGA (0.70) OGAPARP1DRD2MEN1USP2
SCHEMBL23565629 0.63 OGA (0.70) OGAPARP1DRD2MEN1USP2
SCHEMBL13799418 0.61 ALDH1A1 (0.42) OGAKCNJ1PARP1CYP1A2HTR1A
SCHEMBL24418002 0.58 TDP1 (0.39) OGAKCNJ1SMN1; SMN2KDM4EALDH1A1
SCHEMBL23314238 0.57 ALDH1A1 (0.51) OGAMAPK1SMN1; SMN2KDM4EHSD17B10
SCHEMBL20482093 0.57 ALDH1A1 (0.51) OGAMAPK1SMN1; SMN2KDM4EHSD17B10
SCHEMBL9235323 0.55 LMNA (0.56) LMNAKDM4EALDH1A1CA2

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
EP-3419972-B1 GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2023-07-26 EP disclosed