SCHEMBL29079643

SCHEMBL29079643

Cn1c(=O)c(C#N)c(O)c2sccc21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.49
FEN1 P39748 6/20 0.40
PKM P14618 3/20 0.38
PKLR P30613 3/20 0.38
KDM4E B2RXH2 2/20 0.36
ERCC5 P28715 3/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL3634507 0.74 EGLN1 (0.67) EGLN1FEN1ERCC5
SCHEMBL30099730 0.72 ALDH1A1 (0.56) KDM4EGAAPOLBMAPTALDH1A1
SCHEMBL568368 0.72 ALDH1A1 (0.56) KDM4EGAAPOLBMAPTALDH1A1
SCHEMBL9410631 0.72 EGLN1 (0.48) EGLN1FEN1PKMKDM4EGAA
SCHEMBL115090 0.69 EGLN1 (0.45) EGLN1FEN1KDM4EERCC5GAA
SCHEMBL23410160 0.69 LMNA (0.41) EGLN1KDM4EPOLBMAPT
SCHEMBL29891687 0.69 LMNA (0.41) EGLN1KDM4EPOLBMAPT
SCHEMBL29892950 0.69 MAPT (0.41) PKMKDM4EPOLBMAPTALDH1A1
SCHEMBL23410902 0.69 MAPT (0.41) PKMKDM4EPOLBMAPTALDH1A1
SCHEMBL2500134 0.68 EGLN1 (0.66) EGLN1FEN1ERCC5

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-116648248-B Aromatic compound, pharmaceutical composition containing same and application thereof 成都茵创园医药科技有限公司 2025-04-15 CN disclosed
CN-116648248-A Aromatic compound, pharmaceutical composition containing same and application thereof 成都茵创园医药科技有限公司 2023-08-25 CN disclosed
WO-2022161414-A1 AROMATIC COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND APPLICATION THEREOF 成都茵创园医药科技有限公司 2022-08-04 WO disclosed