SCHEMBL13801951

SCHEMBL13801951

Oc1cc2sc3ccsc3c2s1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.43
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
GAA P10253 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
SCHEMBL407079 0.79 GPR35 (0.46) GPR35ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL559418 0.78 GPR35 (0.37) GPR35
SCHEMBL22993626 0.77 GPR35 (0.36) GPR35
SCHEMBL18909187 0.75 GPR35 (0.35) GPR35ALDH1A1GAA
SCHEMBL10045600 0.75 PKM (0.39) GPR35
SCHEMBL1997385 0.75 GPR35 (0.35) GPR35HDAC3HDAC4HDAC1HDAC7
SCHEMBL15041000 0.75 GPR35 (0.52) GPR35ALDH1A1ALOX15HDAC3HDAC4
SCHEMBL2502613 0.75 MGLL (0.39) GPR35
SCHEMBL15040954 0.75 GPR35 (0.42) GPR35ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL12391942 0.73 GPR35 (0.71) GPR35ALDH1A1ALOX15HDAC3HDAC4

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
EP-2005497-B1 QUINOID SYSTEMS AS ORGANIC SEMICONDUCTORS BASF SE (DE) 2014-10-08 EP disclosed
EP-2573833-A1 Organic semiconductors, their manufacture and semiconductor devices comprising them BASF SE (DE) 2013-03-27 EP disclosed
EP-1961052-B1 ORGANIC SEMICONDUCTORS AND THEIR MANUFACTURE BASF SE (DE) 2013-03-06 EP disclosed
WO-2009077349-A1 PROCESS FOR THE PREPARATION OF SEMICONDUCTING LAYERS BASF SE (DE) 2009-06-25 WO disclosed
WO-2007118799-A1 QUINOID SYSTEMS AS ORGANIC SEMICONDUCTORS CIBA HOLDING INC. (CH) 2007-10-25 WO disclosed
WO-2007068618-A1 ORGANIC SEMICONDUCTORS AND THEIR MANUFACTURE CIBA HOLDING INC. (CH) 2007-06-21 WO disclosed