SCHEMBL8091836

SCHEMBL8091836

O=C1c2cccc(-c3ccccc3)c2C(=S)c2c1cccc2-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
MEN1 O00255 1/20 0.44
CDC25B P30305 1/20 0.44
KMT2A Q03164 1/20 0.44
ADORA2A P29274 2/20 0.44
ADORA1 P30542 1/20 0.43
MAPT P10636 5/20 0.43
MAPK1 P28482 4/20 0.43
NSD2 O96028 2/20 0.43
KDM4E B2RXH2 1/20 0.43
BACE1 P56817 1/20 0.42
TDP1 Q9NUW8 3/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.42

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
SCHEMBL6055560 0.92 MEN1 (0.46) HDAC4HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL8085556 0.89 MAPT (0.43) HDAC4HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL9619858 0.88 ADORA2A (0.45) HDAC4HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL22187708 0.87 MEN1 (0.52) HDAC4HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL12626745 0.85 MAPT (0.52) HDAC4HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL1038974 0.83 ADORA2A (0.57) HDAC4HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL16491897 0.83 MEN1 (0.55) HDAC4HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL11424452 0.82 HDAC4 (0.52) HDAC4HDAC2HDAC8HDAC6ALDH1A1
Ammonia Solution, Strong SCHEMBL27523091 0.81 ADORA2A (0.55) HDAC4HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL10723535 0.81 CYP2A6 (0.46) HDAC4HDAC2HDAC8HDAC6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6054501-A CURABILITY; GLOSSINESS; CAN BE BLENDED WITH INKS, PAINTS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2000-04-25 US disclosed
EP-0844255-A1 PHOTOPOLYMERIZATION INITIATOR AND ACTINIC RADIATION-CURABLE COMPOSITION COMPRISING THE SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1998-05-27 EP disclosed
EP-0168224-B1 POSITIVELY CHARGED COLORED TONER COMPOSITIONS XEROX CORPORATION (US) 1992-03-11 EP disclosed
EP-0168224-A2 Positively charged colored toner compositions XEROX CORPORATION (US) 1986-01-15 EP disclosed
US-4562135-A DYE CHARGE CONTROL COMPOSITION COMPRISING A CHROIMOPHORE MOLECULE AND A TRIBOELECTRIC CHARGE ESTABLISHING GROUP XEROX CORPORATION (US) 1985-12-31 US disclosed