SCHEMBL12430875

SCHEMBL12430875

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.39
LDHA P00338 1/20 0.39
LDHB P07195 1/20 0.39
TRPA1 O75762 1/20 0.34
LMNA P02545 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
IDO1 P14902 2/20 0.34
CYP2A6 P11509 2/20 0.33
CYP1A2 P05177 1/20 0.33
CA2 P00918 1/20 0.33
CASR P41180 1/20 0.33
KIF11 P52732 3/20 0.33
ACHE P22303 1/20 0.33
ROCK1 Q13464 2/20 0.32

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
SCHEMBL12896160 0.83 ALB (0.38) ALBLDHALDHBTRPA1LMNA
SCHEMBL12430727 0.75 ROCK1 (0.46) IDO1CYP2A6ROCK1
SCHEMBL1609993 0.74 CYP2A6 (0.42) IDO1CYP2A6CYP1A2KIF11ACHE
SCHEMBL13772192 0.73 LMNA (0.39) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL13197121 0.73 TRPA1 (0.34) ALBLDHALDHBTRPA1LMNA
SCHEMBL825667 0.70 CYP2A6 (0.39) IDO1CYP2A6CYP1A2KIF11
SCHEMBL16785723 0.70 PIM1 (0.42) IDO1CYP2A6CYP1A2KIF11ACHE
SCHEMBL22738420 0.69 CYP2A6 (0.38) IDO1CYP2A6CYP1A2CA2KIF11
SCHEMBL13766463 0.68 CSNK2A2 (0.42) LMNAIDO1KIF11ROCK1
SCHEMBL12896185 0.68 BCL2L1 (0.39) ALBLDHALDHBTRPA1LMNA

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