SCHEMBL29936217

SCHEMBL29936217

COc1cc(OC)c(Br)c(-c2cn(C)c(=O)c(Cl)c2-c2ccc(F)cc2F)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.38
BRD4 O60885 10/20 0.37
MAOB P27338 1/20 0.35
EGFR P00533 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
ELANE P08246 1/20 0.33
MDM2 Q00987 1/20 0.32

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
SCHEMBL29936000 0.92 MAPK14 (0.39) MAPK14BRD4EGFRALDH1A1CYP1A2
SCHEMBL27093099 0.91 MAPK14 (0.39) MAPK14BRD4EGFRALDH1A1CYP1A2
SCHEMBL29936288 0.86 MAPK14 (0.37) MAPK14BRD4
SCHEMBL29935986 0.84 MAPK14 (0.40) MAPK14BRD4
SCHEMBL29936083 0.83 MAPK14 (0.40) MAPK14BRD4EGFRALDH1A1CYP1A2
SCHEMBL29936244 0.76 MAPK14 (0.39) MAPK14BRD4
SCHEMBL29935906 0.75 MAPK14 (0.39) MAPK14BRD4EGFRALDH1A1CYP1A2
SCHEMBL29936492 0.75 BRD4 (0.40) MAPK14BRD4EGFR
SCHEMBL23755080 0.75 MAPK14 (0.37) MAPK14BRD4MAOBEGFRALDH1A1
SCHEMBL29872589 0.75 MAPK14 (0.37) MAPK14BRD4MAOBEGFRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4323342-A1 FUNGICIDAL PYRIDONES FMC CORPORATION (US) 2024-02-21 EP claimed
CN-117203188-A Fungicidal pyridones FMC公司 2023-12-08 CN claimed
WO-2022221165-A1 FUNGICIDAL PYRIDONES FMC CORPORATION (US) 2022-10-20 WO claimed
EP-4323342-A1 FUNGICIDAL PYRIDONES FMC CORPORATION (US) 2024-02-21 EP disclosed
CN-117203188-A Fungicidal pyridones FMC公司 2023-12-08 CN disclosed
WO-2022221165-A1 FUNGICIDAL PYRIDONES FMC CORPORATION (US) 2022-10-20 WO disclosed