SCHEMBL23339754

SCHEMBL23339754

c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)oc4cccc(-c6ccccc6)c45)c3)nc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.33
BACE1 P56817 1/20 0.33
PLA2G2A P14555 2/20 0.33
PLA2G4A P47712 2/20 0.33
PLA2G10 O15496 1/20 0.33
MAPK14 Q16539 1/20 0.31
MAPT P10636 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
SCHEMBL23339760 0.98 HCRTR1 (0.33) HCRTR1BACE1PLA2G2APLA2G4APLA2G10
SCHEMBL23339093 0.98 BACE1 (0.34) HCRTR1BACE1MAPK14MAPT
SCHEMBL23339583 0.97 BACE1 (0.34) HCRTR1BACE1PLA2G2APLA2G4AMAPK14
SCHEMBL23339763 0.94 BACE1 (0.33) HCRTR1BACE1MAPK14
SCHEMBL24882810 0.93 BACE1 (0.32) HCRTR1BACE1PLA2G2APLA2G4A
SCHEMBL24855840 0.93 BACE1 (0.32) HCRTR1BACE1PLA2G2APLA2G4A
SCHEMBL24702034 0.93 BACE1 (0.34) HCRTR1BACE1MAPK14MAPT
SCHEMBL22483169 0.92 HCRTR1 (0.34) HCRTR1BACE1PLA2G2APLA2G4APLA2G10
SCHEMBL23339855 0.92 PRKDC (0.35) HCRTR1BACE1MAPT
SCHEMBL24883072 0.91 BACE1 (0.33) HCRTR1BACE1PLA2G2APLA2G4APLA2G10

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-2021085969-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC ELEMENT, COMPOSITION FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE 삼성에스디아이 주식회사 2021-05-06 WO disclosed