SCHEMBL28707454

SCHEMBL28707454

COc1ccc(CNc2ccc(F)cc2C(C)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.50
▸ ASPH Q12797 1/20 0.50
▸ RIOX2 Q8IUF8 1/20 0.50
▸ KDM8 Q8N371 1/20 0.50
▸ MAP2K4 P45985 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ GPR35 Q9HC97 1/20 0.46
▸ CD38 P28907 1/20 0.45
▸ VNN1 O95497 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ FFAR1 O14842 1/20 0.44

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
SCHEMBL29467955 1.00 GAA (0.52) GAAKDM4EASPHRIOX2KDM8
SCHEMBL6087010 0.84 MEN1 (0.50) KDM4EASPHRIOX2KDM8MEN1
SCHEMBL12725538 0.81 HIF1A (0.53) KDM4EASPHRIOX2KDM8MEN1
SCHEMBL28714008 0.81 CA12 (0.49) GAAKDM4EASPHRIOX2KDM8
SCHEMBL29467971 0.81 CA12 (0.49) GAAKDM4EASPHRIOX2KDM8
SCHEMBL13245806 0.80 MAP2K4 (0.52) GAAKDM4EASPHRIOX2KDM8
SCHEMBL27711447 0.80 GAA (0.50) GAAKDM4EASPHRIOX2KDM8
SCHEMBL27088526 0.79 VNN1 (0.50) GAAKDM4EASPHRIOX2KDM8
SCHEMBL31726503 0.79 HDAC1 (0.47) GAAKDM4EASPHRIOX2KDM8
SCHEMBL9683331 0.78 MAP2K4 (0.52) GAAMAP2K4MEN1KMT2AL3MBTL1

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-114206870-A Tricyclic AKR1C3 dependent KARS inhibitors 诺华股份有限公司 2022-03-18 — — CN disclosed
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