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SCHEMBL19001767

SCHEMBL19001767

c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cccc32)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 2/20 0.33
▸ PLA2G4A P47712 2/20 0.33
▸ PLA2G10 O15496 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.31
▸ HSP90AB1 P08238 1/20 0.31

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
SCHEMBL25145836 0.97 HSP90AA1 (0.32) PLA2G2APLA2G4AHSP90AA1HSP90AB1
SCHEMBL23222520 0.96 PLA2G2A (0.34) PLA2G2APLA2G4APLA2G10PDK2HSP90AA1
SCHEMBL19010959 0.95 ALK (0.33) PLA2G2APLA2G4APLA2G10PDK2HSP90AA1
SCHEMBL16544686 0.95 PLA2G2A (0.36) PLA2G2APLA2G4APLA2G10PDK2HSP90AA1
SCHEMBL16544702 0.94 PLA2G2A (0.30) PLA2G2APLA2G4A
SCHEMBL17854163 0.94 PLA2G2A (0.30) PLA2G2APLA2G4A
SCHEMBL21250643 0.94 PDK2 (0.31) PLA2G2APLA2G4APDK2
SCHEMBL23278216 0.94 — —
SCHEMBL23278403 0.94 — —
SCHEMBL17690174 0.94 PLA2G2A (0.34) PLA2G2APLA2G4APLA2G10HSP90AA1HSP90AB1

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
EP-3390365-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-04-14 — — EP disclosed
WO-2017102063-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-06-22 — — WO disclosed