SCHEMBL21573630

SCHEMBL21573630

c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)oc2cc4oc5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5c4cc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.34
PLA2G4A P47712 2/20 0.34
PTGER4 P35408 2/20 0.34
CHEK2 O96017 1/20 0.34
PRKDC P78527 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ATM Q13315 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TSPO P30536 1/20 0.33
PGR P06401 1/20 0.33
MMP12 P39900 2/20 0.33
GAA P10253 1/20 0.32
RAC2 P15153 1/20 0.32
RAC3 P60763 1/20 0.32
CDC42 P60953 1/20 0.32
RAC1 P63000 1/20 0.32
MMP13 P45452 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
TBK1 Q9UHD2 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
SCHEMBL24216426 0.98 PLA2G2A (0.36) PLA2G2APLA2G4APTGER4CHEK2PRKDC
SCHEMBL25954391 0.98 PLA2G2A (0.36) PLA2G2APLA2G4APTGER4CHEK2PRKDC
SCHEMBL25954390 0.98 PLA2G2A (0.36) PLA2G2APLA2G4APTGER4CHEK2PRKDC
SCHEMBL24217178 0.98 PLA2G2A (0.36) PLA2G2APLA2G4APTGER4CHEK2PRKDC
SCHEMBL21573698 0.97 PLA2G2A (0.34) PLA2G2APLA2G4APTGER4CHEK2PRKDC
SCHEMBL21573700 0.97 ATM (0.34) PLA2G2APLA2G4APTGER4CHEK2PRKDC
SCHEMBL25458765 0.97 PLA2G2A (0.35) PLA2G2APLA2G4APTGER4CHEK2PRKDC
SCHEMBL25458867 0.97 PLA2G2A (0.35) PLA2G2APLA2G4APTGER4CHEK2PRKDC
SCHEMBL25458743 0.97 PLA2G2A (0.35) PLA2G2APLA2G4APTGER4CHEK2PRKDC
SCHEMBL21573686 0.97 PLA2G2A (0.35) PLA2G2APLA2G4APTGER4CHEK2PRKDC

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
EP-3569603-A1 POLYCYCLIC COMPOUND, AND ORGANIC ELECTROLUMINESCENCE ELEMENT COMPRISING THE POLYCYCLIC COMPOUND Idemitsu Kosan Co., Ltd. (JP) 2019-11-20 EP disclosed