SCHEMBL21709203

SCHEMBL21709203

c1ccc2cc(-n3c4ccccc4c4cccc(-c5ccc6c7c8ccccc8ccc7n(-c7cccc8ccccc78)c6c5)c43)ccc2c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 6/20 0.32
MAPK9 P45984 5/20 0.32
TDP1 Q9NUW8 1/20 0.32
AKT1 P31749 1/20 0.31
PDE6D O43924 1/20 0.31
DUSP3 P51452 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31
TUBA1C Q9BQE3 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
SCHEMBL23203840 0.87 TDP1 (0.37) TDP1F2F10PRSS1POLB
SCHEMBL20149461 0.87 MAPK10 (0.39) MAPK10MAPK9DUSP3TUBB4ATUBB
SCHEMBL17562239 0.86 F2 (0.35) MAPK10MAPK9TDP1PTGS1PTGS2
SCHEMBL27452201 0.85 TDP1 (0.38) MAPK10MAPK9TDP1F2F10
SCHEMBL20149440 0.85 DUSP3 (0.40) TDP1DUSP3PTGS1PTGS2TUBB4A
SCHEMBL20149458 0.84 KDM4E (0.41) TDP1PDE6DDUSP3PTGS1PTGS2
SCHEMBL20149462 0.83 KDM4E (0.44) MAPK10MAPK9DUSP3TUBB4ATUBB
SCHEMBL20149460 0.83 KDM4E (0.44) MAPK10MAPK9DUSP3TUBB4ATUBB
SCHEMBL19266867 0.83 TDP1 (0.36) MAPK10MAPK9TDP1PTGS1PTGS2
SCHEMBL23233715 0.83 TDP1 (0.38) MAPK10MAPK9TDP1F2F10

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
WO-2020032424-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING, AS HOST MATERIAL, MIXTURE OF DIFFERENT KINDS OF COMPOUNDS, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-02-13 WO disclosed
WO-2020032447-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING, AS HOST MATERIAL, MIXTURE OF DIFFERENT KINDS OF COMPOUNDS, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-02-13 WO disclosed