SCHEMBL19051646

SCHEMBL19051646

c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5cccc(-n6ncc7c6ccc6c8ccccc8n(-c8ccccc8)c67)c54)nc(-c4ccccc4)n3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ PTGS2 P35354 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ PIK3CA P42336 5/20 0.32
▸ MTOR P42345 5/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ MEN1 O00255 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ CYP17A1 P05093 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
SCHEMBL19051652 0.93 NR3C1 (0.37) MAPTPTGS2HPGDNR3C1TP53
SCHEMBL16918808 0.89 NPSR1 (0.40) MAPTTSHRMAPK1NPSR1HSD17B10
SCHEMBL19052213 0.88 NR3C1 (0.38) MAPTTSHRMAPK1NPSR1HSD17B10
SCHEMBL19051852 0.88 NR3C1 (0.38) MAPTTSHRMAPK1NPSR1HSD17B10
SCHEMBL19051641 0.86 PIK3CA (0.36) MAPTPTGS2HPGDNR3C1TP53
SCHEMBL19051629 0.85 KDM4E (0.35) MAPTNPSR1HSD17B10PTGS2TP53
SCHEMBL16918822 0.85 NR3C1 (0.41) MAPTPTGS2HPGDNR3C1TP53
SCHEMBL19051636 0.85 PIK3CA (0.35) MAPTPTGS2NR3C1TP53PIK3CA
SCHEMBL17809207 0.84 MAPT (0.44) MAPTTSHRMAPK1NPSR1HSD17B10
SCHEMBL21365836 0.84 MAPT (0.44) MAPTTSHRMAPK1NPSR1HSD17B10

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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