SCHEMBL25458795

SCHEMBL25458795

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4cccc(-c6ccc7oc8cc(-n9c%10ccccc%10c%10cc(-c%11ccccc%11)ccc%109)ccc8c7c6)c45)n3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.34
PLA2G2A P14555 2/20 0.32
PLA2G4A P47712 2/20 0.32
PIM1 P11309 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
CHEK2 O96017 1/20 0.32
HCRTR1 O43613 1/20 0.32
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
PLA2G10 O15496 1/20 0.31
PRKDC P78527 1/20 0.31
BACE1 P56817 1/20 0.30
ALOX5 P09917 1/20 0.30
CASP3 P42574 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 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
SCHEMBL25458753 1.00 PTGER4 (0.34) PTGER4PLA2G2APLA2G4APIM1CSNK2A2
SCHEMBL25459322 0.99 PTGER4 (0.33) PTGER4PLA2G2APLA2G4APIM1CSNK2A2
SCHEMBL25459339 0.99 PTGER4 (0.33) PTGER4PLA2G2APLA2G4APIM1CSNK2A2
SCHEMBL25458801 0.99 PTGER4 (0.33) PTGER4PLA2G2APLA2G4APIM1CSNK2A2
SCHEMBL25459303 0.97 PLA2G2A (0.33) PTGER4PLA2G2APLA2G4APIM1CSNK2A2
SCHEMBL23823785 0.97 PTGER4 (0.33) PTGER4HCRTR1MMP12MMP13PRKDC
SCHEMBL25926902 0.97 PTGER4 (0.33) PTGER4HCRTR1MMP12MMP13PRKDC
SCHEMBL25459227 0.96 PTGER4 (0.34) PTGER4PLA2G2APLA2G4APIM1CSNK2A2
SCHEMBL25458756 0.96 PLA2G2A (0.32) PTGER4PLA2G2APLA2G4APIM1CSNK2A2
SCHEMBL25459499 0.96 PTGER4 (0.34) PTGER4PLA2G2APLA2G4APIM1CSNK2A2

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
US-20230157151-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-05-18 US disclosed
US-20230157151-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-05-18 US disclosed