SCHEMBL5019860

SCHEMBL5019860

O=C1c2ccccc2SC2C=C(c3ccccc3)C=CC12

nearest known ligand 0.30

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
NFKB1 P19838 1/20 0.30
STAT3 P40763 1/20 0.30
STAT1 P42224 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30

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
SCHEMBL13562377 0.79 MEN1 (0.33)
SCHEMBL4096667 0.73 ALOX5 (0.37)
SCHEMBL13579137 0.71 MEN1 (0.32) NFKB1STAT3STAT1NFKB2RELA
SCHEMBL24742915 0.70 NFKB1 (0.33) NFKB1STAT3STAT1NFKB2RELA
SCHEMBL23921294 0.70 HTT (0.30)
SCHEMBL23920952 0.70 HTT (0.30)
SCHEMBL5019909 0.69
SCHEMBL24741705 0.69 MAPT (0.31) NFKB1STAT3STAT1NFKB2RELA
SCHEMBL23921127 0.67 EDNRB (0.33)
SCHEMBL24741704 0.67 NFKB1 (0.40) NFKB1STAT3STAT1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012063751-A1 THIOXANTHONE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-05-18 WO disclosed