SCHEMBL12430718

SCHEMBL12430718

Cc1ccc2cc3c(cc2c1)sc1c2cc4ccccc4cc2sc31

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.55
TDP1 Q9NUW8 2/20 0.55
CYP1A2 P05177 5/20 0.46
MAPT P10636 2/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
NOX1 Q9Y5S8 1/20 0.36
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
MAOA P21397 1/20 0.34
NQO1 P15559 1/20 0.33
NQO2 P16083 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP1B1 Q16678 1/20 0.33

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
SCHEMBL20111019 0.98 CYP2A6 (0.53) CYP2A6TDP1CYP1A2MAPTGAA
SCHEMBL22000098 0.98 CYP2A6 (0.53) CYP2A6TDP1CYP1A2MAPTGAA
SCHEMBL10031363 0.94 CYP2A6 (0.52) CYP2A6TDP1CYP1A2MAPTGAA
SCHEMBL10031388 0.94 CYP2A6 (0.52) CYP2A6TDP1CYP1A2MAPTGAA
SCHEMBL17037120 0.94 CYP2A6 (0.52) CYP2A6TDP1CYP1A2MAPTGAA
SCHEMBL12796848 0.93 CYP2A6 (0.50) CYP2A6TDP1CYP1A2MAPTGAA
SCHEMBL18405844 0.91 CYP2A6 (0.48) CYP2A6TDP1CYP1A2MAPTGAA
SCHEMBL12797478 0.89 CYP2A6 (0.46) CYP2A6TDP1CYP1A2MAPTGAA
SCHEMBL12797653 0.89 CYP2A6 (0.46) CYP2A6TDP1CYP1A2MAPTGAA
SCHEMBL17037104 0.89 CYP2A6 (0.45) CYP2A6TDP1CYP1A2MAPTGAA

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