SCHEMBL28664644

SCHEMBL28664644

Nc1cc(O)cc2c(=O)c3ccccc3sc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.70
MAPT P10636 6/20 0.70
POLB P06746 4/20 0.70
L3MBTL1 Q9Y468 2/20 0.70
LMNA P02545 2/20 0.70
HCRTR1 O43613 2/20 0.70
MAOA P21397 2/20 0.53
MAOB P27338 1/20 0.53
ESR2 Q92731 2/20 0.47
ESR1 P03372 1/20 0.47
KDM4E B2RXH2 3/20 0.45
ALOX15 P16050 1/20 0.45
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
GAA P10253 2/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL3874863 0.88 MAPT (0.54) ALDH1A1MAPTPOLBL3MBTL1LMNA
SCHEMBL28655643 0.85 ALDH1A1 (0.72) ALDH1A1MAPTPOLBL3MBTL1LMNA
SCHEMBL28737708 0.83 ALDH1A1 (0.53) ALDH1A1MAPTPOLBL3MBTL1LMNA
SCHEMBL1041154 0.83 MAPT (1.00) ALDH1A1MAPTPOLBL3MBTL1LMNA
SCHEMBL9844711 0.80 CYP19A1 (0.49) ALDH1A1MAPTPOLBL3MBTL1LMNA
SCHEMBL28658228 0.79 MAPT (0.68) ALDH1A1MAPTPOLBL3MBTL1LMNA
SCHEMBL113420 0.79 ALDH1A1 (0.68) ALDH1A1MAPTPOLBL3MBTL1LMNA
SCHEMBL30162004 0.79 ALDH1A1 (0.68) ALDH1A1MAPTPOLBL3MBTL1LMNA
SCHEMBL29518570 0.76 KDM4E (0.64) ALDH1A1MAPTPOLBL3MBTL1LMNA
SCHEMBL44047 0.76 KDM4E (0.64) ALDH1A1MAPTPOLBL3MBTL1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113621187-B Crosslinkable insulating polyolefin composition, preparation method and application thereof, crosslinked insulating polyolefin and application thereof 国家能源投资集团有限责任公司 2024-05-07 CN disclosed
CN-113621187-A Cross-linkable insulating polyolefin composition, preparation method and application thereof, cross-linked insulating polyolefin and application thereof 国家能源投资集团有限责任公司 2021-11-09 CN disclosed
CN-113583321-A Crosslinkable polyethylene composition, preparation method and application thereof, crosslinked polyethylene and application thereof 国家能源投资集团有限责任公司 2021-11-02 CN disclosed