SCHEMBL12430727

SCHEMBL12430727

Cc1ccc2sc(-c3sc4ccc(C)cc4c3C)c(C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 13/20 0.46
IDO1 P14902 2/20 0.37
CYP2A6 P11509 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2614668 0.82 IDO1 (0.37) ROCK1IDO1CYP2A6NPSR1L3MBTL1
SCHEMBL1609993 0.80 CYP2A6 (0.42) IDO1CYP2A6
SCHEMBL12431301 0.78 ROCK1 (0.44) ROCK1IDO1CYP2A6
SCHEMBL27416204 0.78 IDO1 (0.42) ROCK1IDO1CYP2A6NPSR1L3MBTL1
SCHEMBL24444921 0.78 IDO1 (0.36) ROCK1IDO1CYP2A6NPSR1L3MBTL1
SCHEMBL825667 0.76 CYP2A6 (0.39) IDO1CYP2A6
SCHEMBL16785723 0.76 PIM1 (0.42) IDO1CYP2A6
SCHEMBL22857666 0.75 IDO1 (0.35) ROCK1IDO1CYP2A6NPSR1L3MBTL1
SCHEMBL13197121 0.75 TRPA1 (0.34) ROCK1IDO1CYP2A6NPSR1L3MBTL1
SCHEMBL12430875 0.75 ALB (0.39) ROCK1IDO1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7976959-B2 Organic electroluminescent element including bibenzothiopene containing organic compound and display device including the same FUJI XEROX CO., LTD. (JP) 2011-07-12 US disclosed
US-7976959-B2 Organic electroluminescent element including bibenzothiopene containing organic compound and display device including the same FUJI XEROX CO., LTD. (JP) 2011-07-12 US disclosed
US-20090243469-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND DISPLAY DEVICE INCLUDING THE SAME FUJI XEROX CO., LTD. (JP) 2009-10-01 US disclosed
US-20090243469-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND DISPLAY DEVICE INCLUDING THE SAME FUJI XEROX CO., LTD. (JP) 2009-10-01 US disclosed