SCHEMBL17691979

SCHEMBL17691979

c1cnc(-c2ccc3c(ccc4cc(-c5ncccn5)c5ccccc5c43)c2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 2/20 0.39
ERBB2 P04626 1/20 0.39
CYP1A2 P05177 1/20 0.39
FYN P06241 1/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
AHR P35869 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
HIF1A Q16665 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PIK3CD O00329 1/20 0.35
PIP5K1C O60331 1/20 0.35
PI4KA P42356 1/20 0.35
PIK3CG P48736 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
ERN1 O75460 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
SCHEMBL17691981 0.88 CYP1A2 (0.37) ALDH1A1TSHRHSD17B10HPGDERBB2
SCHEMBL17691982 0.85 ALDH1A1 (0.44) ALDH1A1TSHRHSD17B10HPGDERBB2
SCHEMBL17692017 0.84 NPC1 (0.50) ALDH1A1TSHRHSD17B10HPGDCYP1A2
SCHEMBL17691992 0.83 KMT2A (0.41) ALDH1A1TSHRHSD17B10HPGDMAPK1
SCHEMBL13408713 0.81 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10HPGDCYP1A2
SCHEMBL17692001 0.80 KDM4E (0.41) ALDH1A1TSHRHSD17B10HPGDCYP1A2
SCHEMBL17691843 0.80 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10HPGDERBB2
SCHEMBL17692011 0.80 MAPT (0.37) ALDH1A1TSHRHSD17B10HPGDERBB2
SCHEMBL17691844 0.79 PIK3CD (0.44) ALDH1A1TSHRHSD17B10HIF1APIK3CD
SCHEMBL17691984 0.79 DHODH (0.41) ALDH1A1TSHRHSD17B10HPGDERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10826000-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2020-11-03 US disclosed
US-20160111664-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-21 US disclosed
US-20160111664-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-21 US disclosed