SCHEMBL28895295

SCHEMBL28895295

N#CC1(Nc2ccc3c(c2)COC3=O)COC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PKM P14618 2/20 0.43
NPC1 O15118 1/20 0.42
PRF1 P14222 3/20 0.41
PRMT3 O60678 1/20 0.41
RECQL P46063 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
IMPDH2 P12268 1/20 0.38

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
SCHEMBL28895297 0.90 MAPT (0.41) MAPTKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL28895325 0.87 MAPT (0.43) MAPTKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL28895292 0.87 CYP1A2 (0.50) MAPTKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL28895136 0.87 CYP1A2 (0.47) MAPTKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL28895242 0.86 CYP1A2 (0.49) MAPTKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL5558567 0.70 MAPT (0.61) MAPTKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL29580859 0.70 ALDH1A1 (0.51) MAPTKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL28895323 0.70 ALDH1A1 (0.51) MAPTKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL29366960 0.67 PRF1 (0.65) MAPTALDH1A1LMNAGAAPRF1
SCHEMBL1641 0.67 PRF1 (0.65) MAPTALDH1A1LMNAGAAPRF1

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-114315805-A Aromatic ring-fused cyclic lactone thiohydantoin compound and preparation method and application thereof 中国科学院上海药物研究所 2022-04-12 CN disclosed