SCHEMBL19052213

SCHEMBL19052213

c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5cc(-n6ncc7c6ccc6c8ccccc8n(-c8ccccc8)c67)ccc54)nc(-c4ccccc4)n3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 2/20 0.38
▸ MAPT P10636 4/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ RAC2 P15153 1/20 0.34
▸ RAC3 P60763 1/20 0.34
▸ CDC42 P60953 1/20 0.34
▸ RAC1 P63000 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ PTGS2 P35354 2/20 0.34
▸ TP53 P04637 1/20 0.33
▸ PIK3CA P42336 2/20 0.32
▸ MTOR P42345 2/20 0.32
▸ MAP4K1 Q92918 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL19051852 0.96 NR3C1 (0.38) NR3C1MAPTTSHRMAPK1NPSR1
SCHEMBL19051900 0.93 NR3C1 (0.40) NR3C1MAPTRAC2RAC3CDC42
SCHEMBL16918808 0.90 NPSR1 (0.40) NR3C1MAPTTSHRMAPK1NPSR1
SCHEMBL16918822 0.90 NR3C1 (0.41) NR3C1MAPTHPGDPTGS2TP53
SCHEMBL19051622 0.89 NR3C1 (0.40) NR3C1MAPTRAC2RAC3CDC42
SCHEMBL19051899 0.89 NR3C1 (0.40) NR3C1MAPTRAC2RAC3CDC42
SCHEMBL19051646 0.88 MAPT (0.34) NR3C1MAPTTSHRMAPK1NPSR1
SCHEMBL19051633 0.87 NR3C1 (0.39) NR3C1MAPTRAC2RAC3CDC42
SCHEMBL19051857 0.86 RAC2 (0.40) NR3C1MAPTNPSR1HSD17B10RAC2
SCHEMBL16918812 0.86 NR3C1 (0.41) NR3C1MAPTNPSR1HSD17B10PTGS2

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-2017111360-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 2017-06-29 — — WO disclosed
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