SCHEMBL23058600

SCHEMBL23058600

c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3cccc4oc5ccc(-c6cccc7oc8cc(-n9c%10ccccc%10c%10ccccc%109)ccc8c67)cc5c34)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BACE1 P56817 1/20 0.31
TP53 P04637 1/20 0.30
PLA2G10 O15496 1/20 0.30
PLA2G2A P14555 1/20 0.30
PLA2G4A P47712 1/20 0.30

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
SCHEMBL23058531 0.98 PTGER4 (0.34) PTGER4KDM4EATML3MBTL1BACE1
SCHEMBL23058281 0.97 PTGER4 (0.33) PTGER4KDM4EATML3MBTL1BACE1
SCHEMBL23058198 0.96 KDM4E (0.33) PTGER4KDM4EATML3MBTL1BACE1
SCHEMBL23058055 0.96 PTGER4 (0.35) PTGER4BACE1PLA2G10PLA2G2APLA2G4A
SCHEMBL23058560 0.96 PTGER4 (0.33) PTGER4BACE1PLA2G10PLA2G2APLA2G4A
SCHEMBL23058356 0.95 PLA2G2A (0.34) PTGER4BACE1PLA2G10PLA2G2APLA2G4A
SCHEMBL23057996 0.95 PLA2G2A (0.33) KDM4EATML3MBTL1BACE1TP53
SCHEMBL23058592 0.95 KDM4E (0.34) KDM4EATML3MBTL1BACE1TP53
SCHEMBL23058861 0.94 PLA2G2A (0.34) PTGER4BACE1PLA2G10PLA2G2APLA2G4A
SCHEMBL25926795 0.94 BACE1 (0.32) PTGER4KDM4EATML3MBTL1BACE1

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-2021037401-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-03-04 WO disclosed