SCHEMBL29965339

SCHEMBL29965339

C#CCc1ccc2ccn(C(=O)OC(C)(C)C)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 8/20 0.39
MAOB P27338 4/20 0.37
MAOA P21397 3/20 0.37
OXER1 Q8TDS5 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
NR1H3 Q13133 3/20 0.36
PIK3CD O00329 2/20 0.36
ABL1 P00519 2/20 0.36
EGFR P00533 2/20 0.36
HCK P08631 2/20 0.36
SRC P12931 2/20 0.36
KDR P35968 2/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
MTOR P42345 2/20 0.36
PIK3CG P48736 2/20 0.36
EPHB4 P54760 2/20 0.36
PRKDC P78527 2/20 0.36
PI4KB Q9UBF8 2/20 0.36

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
SCHEMBL30811811 0.84 NR1H2 (0.40) NR1H2OXER1HSP90AA1HSP90AB1NR1H3
SCHEMBL1760804 0.84 NR1H2 (0.40) NR1H2OXER1HSP90AA1HSP90AB1NR1H3
SCHEMBL29964999 0.83 NR1H2 (0.37) NR1H2OXER1HSP90AA1HSP90AB1NR1H3
SCHEMBL18992998 0.83 HSP90AA1 (0.41) NR1H2OXER1HSP90AA1HSP90AB1NR1H3
SCHEMBL31370781 0.83 NR1H2 (0.49) NR1H2OXER1HSP90AA1HSP90AB1NR1H3
SCHEMBL1053719 0.82 NR1H2 (0.43) NR1H2OXER1HSP90AA1HSP90AB1NR1H3
SCHEMBL31370682 0.81 NR1H2 (0.42) NR1H2OXER1HSP90AA1HSP90AB1NR1H3
SCHEMBL29919526 0.80 OXER1 (0.41) MAOBMAOAOXER1KDM4EALDH1A1
SCHEMBL30933401 0.78 HSP90AA1 (0.35) NR1H2MAOBHSP90AA1HSP90AB1NR1H3
SCHEMBL15231776 0.78 NR1H2 (0.35) NR1H2OXER1NR1H3PIK3CDABL1

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-115151540-A Polyheterocyclic compounds as METTL3 inhibitors 风暴治疗有限公司 2022-10-04 CN disclosed