SCHEMBL21757940

SCHEMBL21757940

FC(F)(F)c1ccc(-c2ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
PPARG P37231 3/20 0.39
PPARA Q07869 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
GRM2 Q14416 2/20 0.35
CYP2C9 P11712 1/20 0.35
SCN9A Q15858 1/20 0.35
NR3C1 P04150 2/20 0.35
PGR P06401 1/20 0.35
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
HDAC4 P56524 1/20 0.34

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
SCHEMBL17950044 0.95 KIF11 (0.46) KIF11PPARGPPARAKDM4EATM
SCHEMBL21131584 0.89 KIF11 (0.39) KIF11PPARGPPARAKDM4EATM
SCHEMBL12937184 0.88 ALOX5AP (0.44) PPARGALOX5APFEN1EDNRBEDNRA
SCHEMBL28232798 0.88 KDM4E (0.46) KIF11KDM4EATML3MBTL1NR3C1
SCHEMBL22044275 0.86 KIF11 (0.41) KIF11PPARGPPARAKDM4EATM
SCHEMBL18389013 0.85 KDM4E (0.43) KIF11PPARGPPARAKDM4EATM
SCHEMBL17950492 0.85 SCN9A (0.48) KIF11PPARGPPARAKDM4EATM
SCHEMBL21258770 0.84 KIF11 (0.36) KIF11PPARGPPARAALOX5APFEN1
SCHEMBL20111866 0.84 KIF11 (0.36) KIF11PPARGPPARAALOX5APFEN1
SCHEMBL21131433 0.84 KIF11 (0.42) KIF11PPARGPPARAALOX5APFEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210351364-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE SK MATERIALS JNC CO., LTD. (KR) 2021-11-11 US disclosed
WO-2020218558-A1 COMPOUND, MATERIAL FOR ORGANIC DEVICE, COMPOSITION FOR FORMING LIGHT-EMITTING LAYER, ORGANIC FIELD-EFFECT TRANSISTOR, ORGANIC THIN-FILM SOLAR CELL, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND ILLUMINATION DEVICE 学校法人関西学院 2020-10-29 WO disclosed
US-10669473-B2 Organic molecules for use in optoelectronic components CYNORA GMBH (DE) 2020-06-02 US disclosed
WO-2020040298-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, ILLUMINATION DEVICE, LUMINESCENT LAYER FORMING COMPOSITION, AND COMPOUND 学校法人関西学院 2020-02-27 WO disclosed