SCHEMBL23486998

SCHEMBL23486998

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4oc6ccc7cccc8c9ccccc9n5c4c6c78)c3)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.34
PLA2G4A P47712 3/20 0.34
PLA2G10 O15496 1/20 0.34
CYP1A2 P05177 2/20 0.32
CYP1A1 P04798 1/20 0.32
FYN P06241 1/20 0.32
MAPK3 P27361 1/20 0.32
AHR P35869 1/20 0.32
PAX8 Q06710 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
PGR P06401 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL23487006 0.92 ALDH1A1 (0.35) CYP1A2CYP1A1FYNMAPK3AHR
SCHEMBL23487012 0.88 ALDH1A1 (0.35) CYP1A2CYP1A1FYNMAPK3AHR
SCHEMBL23487008 0.84 PLA2G2A (0.32) PLA2G2APLA2G4APLA2G10CYP1A2CYP1A1
SCHEMBL23487007 0.84 MEN1 (0.35) CYP1A2CYP1A1FYNMAPK3AHR
SCHEMBL26246086 0.84 PLA2G2A (0.35) PLA2G2APLA2G4APLA2G10CYP1A2CYP1A1
SCHEMBL26246070 0.83 PLA2G2A (0.38) PLA2G2APLA2G4APLA2G10PGR
SCHEMBL26246088 0.83 PLA2G2A (0.38) PLA2G2APLA2G4APLA2G10PGR
SCHEMBL23487001 0.82 MAPT (0.32) CYP1A2ALDH1A1HPGDTSHRMAPT
SCHEMBL26246079 0.81 KDM4E (0.33) CYP1A2CYP1A1PGRALDH1A1HSD17B10
SCHEMBL20071371 0.81 PLA2G10 (0.32) PLA2G2APLA2G4APLA2G10CYP1A2ALDH1A1

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-2021112478-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-06-10 WO disclosed