SCHEMBL30629075

SCHEMBL30629075

CCC1CCC(c2nc(N3CCc4cc(C=O)ccc43)no2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 3/20 0.37
MEN1 O00255 2/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 2/20 0.37
ADRB2 P07550 3/20 0.37
ADRB1 P08588 3/20 0.37
ADRB3 P13945 2/20 0.36
GPR119 Q8TDV5 3/20 0.32
RAB9A P51151 3/20 0.31
MAPK1 P28482 2/20 0.31
NPC1 O15118 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
LRRK2 Q5S007 1/20 0.31
NPY2R P49146 1/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SRD5A1 P18405 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
SCHEMBL30629068 1.00 MAPT (0.37) MAPTALDH1A1GAAMEN1HPGD
SCHEMBL26110394 1.00 MAPT (0.37) MAPTALDH1A1GAAMEN1HPGD
SCHEMBL30629033 0.86 MEN1 (0.37) MAPTALDH1A1GAAMEN1HPGD
SCHEMBL26108155 0.86 MEN1 (0.37) MAPTALDH1A1GAAMEN1HPGD
SCHEMBL30629044 0.85 MAPT (0.38) MAPTALDH1A1GAAMEN1HPGD
SCHEMBL26109423 0.85 MAPT (0.38) MAPTALDH1A1GAAMEN1HPGD
SCHEMBL26105819 0.82 HSD11B1 (0.41) MAPTALDH1A1GAAMEN1HPGD
SCHEMBL30629095 0.82 MEN1 (0.37) MAPTALDH1A1GAAMEN1HPGD
SCHEMBL26107631 0.82 MEN1 (0.37) MAPTALDH1A1GAAMEN1HPGD
SCHEMBL29082554 0.77 MEN1 (0.41) MAPTALDH1A1GAAMEN1HPGD

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
CN-116836157-A Oxadiazole derivative and preparation method and application thereof 星希尔生物科技(上海)有限公司 2023-10-03 CN disclosed