SCHEMBL20828560

SCHEMBL20828560

c1ccc(-c2ccc(N(c3ccc(-c4c(-c5ccc6oc7ccccc7c6c5-c5cccc6ccccc56)ccc5oc6ccccc6c45)cc3)c3cccc4oc5ccccc5c34)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ABCG2 Q9UNQ0 2/20 0.30
CYP1A1 P04798 1/20 0.30
CYP1A2 P05177 1/20 0.30
FYN P06241 1/20 0.30
MAPK3 P27361 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
SCHEMBL20828765 0.92 PLA2G2A (0.34) TDP1MAPTHPGDTP53SMN1; SMN2
SCHEMBL20828770 0.92 PLA2G2A (0.34) TDP1MAPTHPGDTP53SMN1; SMN2
SCHEMBL20828764 0.92 ALOX5 (0.34) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL20828551 0.90
SCHEMBL20828564 0.88 MAPT (0.33) TDP1L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL20828590 0.88 SIGMAR1 (0.33) TDP1L3MBTL1ABCG2CYP1A1CYP1A2
SCHEMBL21206179 0.87 ENPP3 (0.36) TDP1L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL20828767 0.86 CDC14B (0.33) MAPTPLA2G2APLA2G4A
SCHEMBL20828589 0.86 CDC14B (0.34) TDP1MAPTPLA2G2APLA2G4A
SCHEMBL21214792 0.86 ENPP3 (0.37) TDP1L3MBTL1KDM4EALDH1A1MAPT

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-2019054599-A1 ORGANIC LIGHT EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME (주)피엔에이치테크 2019-03-21 WO disclosed