SCHEMBL22222879

SCHEMBL22222879

O=C1NC(=O)/C(=C\c2ccc(C(=O)NC[C@@H]3CC(SC(c4ccccc4)(c4ccccc4)c4ccccc4)CN3C(=O)c3ccccc3C(=O)c3ccc(F)cc3F)cc2)S1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 18/20 1.00
PLA2G6 O60733 1/20 1.00
PLA2G4C Q9UP65 2/20 0.74
PTPN1 P18031 1/20 0.39

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
SCHEMBL22222834 1.00 PLA2G4A (1.00) PLA2G4APLA2G6PLA2G4CPTPN1
SCHEMBL22187659 1.00 PLA2G4A (1.00) PLA2G4APLA2G6PLA2G4CPTPN1
SCHEMBL29367824 1.00 PLA2G4A (1.00) PLA2G4APLA2G6PLA2G4CPTPN1
SCHEMBL2729842 1.00 PLA2G4A (1.00) PLA2G4APLA2G6PLA2G4CPTPN1
SCHEMBL22222880 1.00 PLA2G4A (1.00) PLA2G4APLA2G6PLA2G4CPTPN1
SCHEMBL3686137 1.00 PLA2G4A (1.00) PLA2G4APLA2G6PLA2G4CPTPN1
SCHEMBL22222825 0.78 PLA2G4A (1.00) PLA2G4APLA2G6PLA2G4C
SCHEMBL3686144 0.77 PLA2G4A (0.62) PLA2G4APLA2G6PLA2G4CPTPN1
SCHEMBL30007459 0.73 PLA2G4A (1.00) PLA2G4APLA2G6PLA2G4C
SCHEMBL22222831 0.70 PLA2G4A (0.54) PLA2G4APLA2G6PLA2G4C

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
WO-2020144192-A1 USE OF ARACHIDONYL TRIFLUOROMETHYL KETONE MOSAIQUES DIAGNOSTICS UND THERAPEUTICS AG (DE) 2020-07-16 WO disclosed