SCHEMBL28637889

SCHEMBL28637889

Cc1cccc(C(=N)NC(=O)c2ccccc2F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.54
RAB9A P51151 5/20 0.51
NPC1 O15118 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.50
ALDH1A1 P00352 3/20 0.50
PPIA P62937 1/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.47
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
DNMT1 P26358 1/20 0.46
CASP6 P55212 1/20 0.46
MCL1 Q07820 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL58906 0.84 ALDH1A1 (0.60) KAT6ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL31736572 0.84 ALDH1A1 (0.60) KAT6ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8286192 0.82 SMN1; SMN2 (0.65) KAT6ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL27972423 0.74 MEN1 (0.70) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL10719368 0.73 ABCB1 (0.65) POLB
SCHEMBL21313818 0.71 ALDH1A1 (0.69) KAT6ARAB9ANPC1ALDH1A1PPIA
SCHEMBL29278839 0.71 ALDH1A1 (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
Toluene SCHEMBL10507527 0.71 SMN1; SMN2 (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL27393236 0.71 NPC1 (0.62) RAB9ANPC1SMN1; SMN2ALDH1A1PPIA
SCHEMBL9782243 0.70 ALDH1A1 (0.67) RAB9ANPC1SMN1; SMN2ALDH1A1PPIA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115141120-B Electro-oxidation preparation method of atta Lu Lun 湖南大学 2025-03-21 CN disclosed
CN-114920667-B Electrochemical preparation method of atta Lu Lunzhi 湖南大学 2024-06-21 CN disclosed
CN-115141120-A Electrooxidation preparation method of astallurens 湖南大学 2022-10-04 CN disclosed
CN-114920667-A Electrochemical preparation method of astraglucol 湖南大学 2022-08-19 CN disclosed
CN-113502491-A Electrochemical preparation method of Tioxazafen and atrareum intermediate 湖南大学 2021-10-15 CN disclosed