SCHEMBL6159396

SCHEMBL6159396

COC(=S)SC1CCC(=O)N1Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.56
HCRTR2 O43614 13/20 0.56
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL6158799 0.89 HCRTR2 (0.52) HCRTR1HCRTR2KMT2AMEN1GAA
SCHEMBL6158510 0.83 HCRTR1 (0.52) HCRTR1HCRTR2KMT2AHDAC1HDAC6
SCHEMBL6157789 0.83 HCRTR2 (0.54) HCRTR1HCRTR2KMT2AHDAC1HDAC6
SCHEMBL6162062 0.83 HCRTR1 (0.56) HCRTR1HCRTR2HDAC1HDAC6
SCHEMBL6158308 0.82 HCRTR1 (0.53) HCRTR1HCRTR2KMT2AHDAC1HDAC6
SCHEMBL6161039 0.82 HCRTR1 (0.53) HCRTR1HCRTR2KMT2AMEN1HDAC1
SCHEMBL6160370 0.82 HCRTR1 (0.51) HCRTR1HCRTR2HDAC1HDAC6
SCHEMBL6160749 0.81 HCRTR2 (0.53) HCRTR1HCRTR2KMT2AMEN1GAA
SCHEMBL6160316 0.81 HCRTR2 (0.53) HCRTR1HCRTR2KMT2AMEN1HDAC1
SCHEMBL6158757 0.81 EGLN1 (0.49) HCRTR1HCRTR2KMT2AHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1504171-A1 METHOD FOR THE UTILIZATION OF ENERGY FROM CYCLIC THERMOCHEMICAL PROCESSES TO PRODUCE MECHANICAL ENERGY AND A PLANT FOR THIS PURPOSE Geba AS (NO) 2005-02-09 EP disclosed
WO-2003091549-A1 METHOD FOR THE UTILIZATION OF ENERGY FROM CYCLIC THERMOCHEMICAL PROCESSES TO PRODUCE MECHANICAL ENERGY AND A PLANT FOR THIS PURPOSE GEBA AS (NO) 2003-11-06 WO disclosed
US-6420415-B1 Thiol compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-16 US disclosed