SCHEMBL12430648

SCHEMBL12430648

Cc1ccc2sc(-c3cc4cc(C)ccc4s3)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.57
CYP1A2 P05177 4/20 0.48
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
TDP1 Q9NUW8 2/20 0.41
AKR1B1 P15121 1/20 0.40
MAPT P10636 2/20 0.39
RAB9A P51151 1/20 0.39
NCK1 P16333 1/20 0.38
BACE1 P56817 1/20 0.38
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DYRK1A Q13627 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35

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
SCHEMBL12269095 0.85 CYP2A6 (0.45) CYP2A6CYP1A2ESR1ESR2TDP1
SCHEMBL12972881 0.84 ESR1 (0.50) CYP2A6ESR1ESR2TDP1MAPT
SCHEMBL17149173 0.82 CYP2A6 (0.46) CYP2A6CYP1A2ESR1ESR2AKR1B1
SCHEMBL14282441 0.81 ESR1 (0.45) CYP2A6CYP1A2ESR1ESR2MAPT
SCHEMBL144441 0.81 CYP2A6 (0.57) CYP2A6CYP1A2TDP1AKR1B1MAPT
SCHEMBL12711322 0.79 CYP2A6 (0.40) CYP2A6CYP1A2ESR1ESR2AKR1B1
SCHEMBL12711313 0.79 CYP2A6 (0.40) CYP2A6CYP1A2ESR1ESR2AKR1B1
SCHEMBL12711989 0.79 CYP2A6 (0.43) CYP2A6CYP1A2ESR1ESR2TDP1
SCHEMBL18100513 0.78 CYP2A6 (0.42) CYP2A6CYP1A2ESR1ESR2AKR1B1
SCHEMBL19229652 0.78 ESR1 (0.39) CYP2A6ESR1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9825261-B2 Organic electroluminescent transistor FLEXTERRA, INC. (US) 2017-11-21 US disclosed
US-20170237043-A1 Organic Electroluminescent Transistor USINVEST LLC 2017-08-17 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-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