SCHEMBL15965730

SCHEMBL15965730

c1ccc2c(c1)c1ncccc1n2-c1ccc2oc3ccc(-c4ccncc4-c4ccc5oc6ccc(-n7c8ccccc8c8ncccc87)cc6c5c4)cc3c2c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 5/20 0.33
RPS6KA2 Q15349 2/20 0.33
RPS6KA1 Q15418 2/20 0.33
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
BTK Q06187 3/20 0.32
PIK3CA P42336 3/20 0.32
PIK3CD O00329 2/20 0.32
PIK3CB P42338 2/20 0.32
PIK3CG P48736 2/20 0.32
PIK3R1 P27986 1/20 0.32
MTOR P42345 1/20 0.32
PDE4D Q08499 1/20 0.31

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
SCHEMBL15965690 0.91 NPC1 (0.35) MAPTNPC1PDE4D
SCHEMBL15965716 0.90 RPS6KA3 (0.34) RPS6KA3RPS6KA2RPS6KA1BTKPIK3CA
SCHEMBL10348765 0.88 NPC1 (0.37) MAPTNPC1BTKPIK3CAPIK3CD
SCHEMBL15965705 0.87 MAPK9 (0.38) MAPTNPC1
SCHEMBL10348766 0.87 NPC1 (0.36) MAPTNPC1BTKPIK3CAPIK3CD
SCHEMBL15965697 0.86 MAPT (0.38) MAPTNPC1PDE4D
SCHEMBL10041341 0.86 BTK (0.35) MAPTNPC1BTKPIK3CAPIK3CD
SCHEMBL18748726 0.86 ALOX5AP (0.31) MAPT
SCHEMBL4570442 0.85 MAPT (0.40) MAPTNPC1PDE4D
SCHEMBL15965707 0.85 KMO (0.35) MAPTNPC1PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140231772-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IDEMITSU KOSAN CO., LTD. 2014-08-21 US disclosed
US-20140231772-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IDEMITSU KOSAN CO., LTD. 2014-08-21 US disclosed