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SCHEMBL16424823

SCHEMBL16424823

c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cc(N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)c3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.33
▸ ESR2 Q92731 2/20 0.33
▸ HDAC4 P56524 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ GSTP1 P09211 1/20 0.31
▸ PDK2 Q15119 2/20 0.30
▸ LPL P06858 1/20 0.30
▸ LIPG Q9Y5X9 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ ALOX5 P09917 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
SCHEMBL16424731 1.00 ESR1 (0.33) ESR1ESR2HDAC4HDAC2HDAC8
SCHEMBL16424716 0.92 PDK2 (0.32) PDK2
SCHEMBL16424812 0.90 PDK2 (0.34) PDK2
SCHEMBL16424709 0.90 PDK2 (0.34) PDK2
SCHEMBL16424815 0.90 PDK2 (0.34) PDK2
SCHEMBL16424734 0.90 PDK2 (0.34) PDK2
SCHEMBL24612815 0.90 PDK2 (0.32) PDK2
SCHEMBL16871124 0.89 GPR84 (0.31) —
SCHEMBL16424712 0.89 PDK2 (0.35) PDK2
SCHEMBL16870932 0.88 LPL (0.35) ESR1ESR2HDAC4HDAC2HDAC8

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-2015012618-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-01-29 — — WO disclosed
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