SCHEMBL6952027

SCHEMBL6952027

CC(=O)OC1C(=O)Nc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
ALDH1A1 P00352 5/20 0.48
MAPT P10636 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
IDO1 P14902 4/20 0.44
TDO2 P48775 2/20 0.44
KDM4E B2RXH2 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GSK3B P49841 1/20 0.41
NLRP3 Q96P20 1/20 0.40
BRPF1 P55201 1/20 0.40
CREBBP Q92793 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
SCHEMBL5275526 0.88 MAPT (0.51) ALDH1A1MAPTL3MBTL1IDO1TDO2
SCHEMBL21282101 0.85 POLB (0.47) POLBALDH1A1MAPTL3MBTL1MEN1
SCHEMBL5879564 0.81 POLB (0.49) POLBALDH1A1MAPTL3MBTL1MEN1
SCHEMBL16111315 0.81 IDO1 (0.44) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL6948710 0.80 MAPT (0.42) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL7072166 0.78 IDO1 (0.49) ALDH1A1MAPTL3MBTL1IDO1TDO2
SCHEMBL7694802 0.78 MAPT (0.43) ALDH1A1MAPTL3MBTL1IDO1TDO2
SCHEMBL18601130 0.76 POLB (0.42) POLBALDH1A1MAPTL3MBTL1MEN1
SCHEMBL31181916 0.76 ALDH1A1 (0.42) ALDH1A1MAPTL3MBTL1IDO1TDO2
SCHEMBL6297845 0.74 MAPT (0.59) POLBALDH1A1MAPTL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116794202-A Screening and application of metabolic markers of rifampicin drug-resistant tuberculosis 首都医科大学附属北京胸科医院 2023-09-22 CN claimed
CN-115724785-A Method for asymmetric catalytic synthesis of 3,3-disubstituted chiral indolone derivative 重庆医科大学 2023-03-03 CN claimed
EP-1358180-A2 NAPHTHOSTYRIL DERIVATIVES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES F. Hoffmann-La Roche AG (CH) 2003-11-05 EP claimed
WO-2002059109-A2 NAPHTHOSTYRIL DERIVATIVES AND THEIR USE AS INHIBITORS OF CYCLIN- DEPENDENT KINASES F. HOFFMANN-LA ROCHE AG (CH) 2002-08-01 WO claimed
CN-115894331-B Method for asymmetric catalytic synthesis of 3, 3-disubstituted oxindole compounds 重庆医科大学 2024-08-23 CN disclosed
CN-115894331-A Method for asymmetric catalytic synthesis of 3, 3-disubstituted oxindole compounds 重庆医科大学 2023-04-04 CN disclosed
CN-115724785-A Method for asymmetric catalytic synthesis of 3,3-disubstituted chiral indolone derivative 重庆医科大学 2023-03-03 CN disclosed
CN-115724785-A Method for asymmetric catalytic synthesis of 3,3-disubstituted chiral indolone derivative 重庆医科大学 2023-03-03 CN disclosed