SCHEMBL30644615

SCHEMBL30644615

Cc1nc2cc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)ccc2o1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.52
TBK1 Q9UHD2 15/20 0.45
PIK3CA P42336 1/20 0.44
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ACACB O00763 1/20 0.42

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
SCHEMBL20482285 1.00 OGA (0.52) OGATBK1PIK3CANPC1ALDH1A1
SCHEMBL17541630 0.79 OGA (0.55) OGATBK1
SCHEMBL30644627 0.79 OGA (0.55) OGATBK1
SCHEMBL30644685 0.78 OGA (0.60) OGATBK1
SCHEMBL24499881 0.78 OGA (0.60) OGATBK1
SCHEMBL20481999 0.76 OGA (0.53) OGATBK1PIK3CANPC1ALDH1A1
SCHEMBL30644622 0.76 OGA (0.53) OGATBK1PIK3CANPC1ALDH1A1
SCHEMBL16113168 0.75 OGA (0.60) OGA
SCHEMBL17541512 0.75 OGA (0.52) OGANPC1ALDH1A1MAPTMAPK1
SCHEMBL2312041 0.74 ESR2 (0.48) PIK3CANPC1MAPTRAB9A

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-110770226-B Sulfoximine glycosidase inhibitors 阿森纽荣股份公司 2023-11-10 CN disclosed