SCHEMBL28405221

SCHEMBL28405221

O=c1[nH]c(-c2ccc3c(ccn3Cc3ccc(Cl)cc3)c2)no1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.52
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PDE5A O76074 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE7A Q13946 1/20 0.43
PDE1C Q14123 1/20 0.43
PDE3A Q14432 1/20 0.43
ALOX5AP P20292 1/20 0.43
PLA2G2A P14555 1/20 0.43

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
SCHEMBL28404008 0.91 BRD4 (0.46) PLA2G4APDE5APDE1APDE1BPDE4D
SCHEMBL28401567 0.90 PLA2G4A (0.51) PLA2G4AHDAC3HDAC1HDAC2HDAC8
SCHEMBL28407778 0.90 PLA2G4A (0.54) PLA2G4AHDAC3HDAC1HDAC2HDAC8
SCHEMBL28405492 0.90 PLA2G4A (0.51) PLA2G4APLA2G2A
SCHEMBL28404835 0.90 PLA2G4A (0.51) PLA2G4A
SCHEMBL28405500 0.89 PLA2G4A (0.47) PLA2G4APDE5APDE1APDE1BPDE4D
SCHEMBL28401981 0.89 PLA2G4A (0.50) PLA2G4A
SCHEMBL28405612 0.88 PLA2G4A (0.59) PLA2G4AHDAC3HDAC1HDAC2HDAC8
SCHEMBL28407769 0.87 PLA2G4A (0.51) PLA2G4APLA2G2A
SCHEMBL28404402 0.83 PLA2G4A (0.47) 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