SCHEMBL16870643

SCHEMBL16870643

c1ccc(-c2cc3ccc4cccc5c4c3c(c2)n5-c2ccc(-n3c4cccc5ccc6cc(-c7cccc8ccccc78)cc3c6c54)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE6D O43924 1/20 0.36
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ATM Q13315 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ NTSR1 P30989 2/20 0.34
▸ HTR6 P50406 2/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ ACMSD Q8TDX5 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33

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
SCHEMBL16021470 0.94 KDM4E (0.38) PDE6DCA12CA1CA2CA9
SCHEMBL16021482 0.94 KDM4E (0.40) CA12CA1CA2CA9KDM4E
SCHEMBL16021461 0.94 L3MBTL1 (0.40) PDE6DKDM4EATML3MBTL1HTR6
SCHEMBL18744366 0.93 KDM4E (0.39) PDE6DCA12CA1CA2CA9
SCHEMBL16021430 0.91 L3MBTL1 (0.40) PDE6DKDM4EATML3MBTL1NTSR1
SCHEMBL16021481 0.91 L3MBTL1 (0.40) PDE6DKDM4EATML3MBTL1NTSR1
SCHEMBL16021523 0.89 GRIA1 (0.36) CA12CA1CA2CA9ALDH1A1
SCHEMBL18744338 0.89 L3MBTL1 (0.42) CA12CA1CA2CA9KDM4E
SCHEMBL16870658 0.89 ESR1 (0.38) PDE6DKDM4EATML3MBTL1HTR6
SCHEMBL18744347 0.88 CA12 (0.41) CA12CA1CA2CA9KDM4E

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-2015099453-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC LIGHT-EMITTING DIODE DEVICE USING SAME 주식회사 두산 2015-07-02 — — WO disclosed
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