SCHEMBL25699466

SCHEMBL25699466

CNc1ccc(N2CCN(C)CC2)cc1OC(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
SIRT6 Q8N6T7 1/20 0.43
DCLK1 O15075 1/20 0.42
HTR3A P46098 1/20 0.42
ALK Q9UM73 5/20 0.41
HTR6 P50406 3/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
PTK2B Q14289 1/20 0.41
BRD4 O60885 1/20 0.41
INSR P06213 2/20 0.41
IGF1R P08069 1/20 0.41
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.40
KMT2A Q03164 1/20 0.40
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40

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
SCHEMBL15283283 0.84 EGFR (0.42) MAPTSIRT6DCLK1ALKHTR6
SCHEMBL12718983 0.84 SIRT6 (0.56) MAPTSIRT6ALKHTR6MAPK1
SCHEMBL16001227 0.81 SIRT6 (0.46) MAPTSIRT6HTR3AHTR6GAA
SCHEMBL17580638 0.80 LMNA (0.42) MAPTSIRT6DCLK1ALKINSR
SCHEMBL15283334 0.79 GAA (0.58) MAPTSIRT6HTR3AHTR6GAA
SCHEMBL18210772 0.79 HTR6 (0.46) MAPTSIRT6HTR3AHTR6GAA
SCHEMBL14180560 0.79 SIRT6 (0.51) MAPTSIRT6ALKHTR6INSR
SCHEMBL16003359 0.79 MAPT (0.48) MAPTSIRT6HTR3AALKHTR6
SCHEMBL16001188 0.77 SIRT6 (0.43) MAPTSIRT6HTR3AHTR6GAA
SCHEMBL15283363 0.77 MAPT (0.54) MAPTSIRT6HTR3AHTR6GAA

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
WO-2023121207-A1 PHARMACEUTICAL COMPOSITION, WHICH INHIBITS AAK1, FOR PREVENTING OR TREATING VIRAL DISEASES OR BRAIN DISEASES 재단법인 대구경북첨단의료산업진흥재단 2023-06-29 WO disclosed