SCHEMBL28404041

SCHEMBL28404041

O=c1[nH]c(-c2ccc3c(ccn3Cc3cccc(F)c3)c2)no1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.47
MAOB P27338 1/20 0.44
BRD4 O60885 1/20 0.43
EED O75530 1/20 0.42
EPHX2 P34913 2/20 0.42
PPARG P37231 1/20 0.42
EGFR P00533 1/20 0.42
SLC2A1 P11166 1/20 0.41

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
SCHEMBL28402318 0.92 BRD4 (0.45) BRD4
SCHEMBL28401567 0.88 PLA2G4A (0.51) PLA2G4AMAOB
SCHEMBL28404835 0.88 PLA2G4A (0.51) PLA2G4ABRD4
SCHEMBL28405500 0.88 PLA2G4A (0.47) PLA2G4ABRD4EGFR
SCHEMBL28404402 0.88 PLA2G4A (0.47) PLA2G4ABRD4
SCHEMBL28407996 0.88 PLA2G4A (0.49) PLA2G4ABRD4EEDSLC2A1
SCHEMBL28401937 0.86 PLA2G4A (0.52) PLA2G4ASLC2A1
SCHEMBL28405221 0.83 PLA2G4A (0.52) PLA2G4A
SCHEMBL28401981 0.83 PLA2G4A (0.50) PLA2G4A
SCHEMBL28405492 0.82 PLA2G4A (0.51) PLA2G4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111072647-B 3-substituted indole-5-oxo-4, 5-dihydro-1, 2, 4-oxadiazole compound and application thereof 沈阳药科大学 2021-02-26 CN claimed
CN-111072647-A 3-substituted indole-5-oxo-4, 5-dihydro-1, 2, 4-oxadiazole compound and application thereof 沈阳药科大学 2020-04-28 CN claimed