SCHEMBL20828564

SCHEMBL20828564

c1ccc(-c2ccc(N(c3ccc(-c4c(-c5ccc6oc7ccccc7c6c5-c5cccc6ccccc56)ccc5oc6ccccc6c45)cc3)c3ccc4oc5ccccc5c4c3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.33
HPGD P15428 5/20 0.33
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 5/20 0.33
HSD17B10 Q99714 5/20 0.33
TSHR P16473 3/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
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
KMT2A Q03164 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 2/20 0.32
RAB9A P51151 2/20 0.32

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
SCHEMBL20828761 0.95 TDP1 (0.35) MAPTHPGDKDM4EALDH1A1HSD17B10
SCHEMBL20828559 0.91 MEN1 (0.38) MAPTHPGDKDM4EALDH1A1CYP1A2
SCHEMBL20828554 0.89
SCHEMBL20828560 0.88 TDP1 (0.32) MAPTHPGDKDM4EALDH1A1HSD17B10
SCHEMBL20828616 0.88 CA12 (0.34) MAPTALDH1A1CA12CA1CA2
SCHEMBL20828764 0.87 ALOX5 (0.34) MAPTHPGDKDM4EALDH1A1HSD17B10
SCHEMBL17740577 0.86 CA12 (0.41) MAPTHPGDKDM4EALDH1A1HSD17B10
SCHEMBL23172244 0.85 CA12 (0.40) MAPTHPGDKDM4EALDH1A1HSD17B10
SCHEMBL20828561 0.85 MEN1 (0.40) MAPTHPGDKDM4EALDH1A1AHR
SCHEMBL16684057 0.85 NPC1 (0.39) MAPTHPGDKDM4EALDH1A1CYP1A2

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