SCHEMBL5301209

SCHEMBL5301209

COc1ccc(-c2ccc(CCC(=O)Nc3cscc3C(=O)O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.59
MAPT P10636 2/20 0.52
MAPK1 P28482 1/20 0.52
GAA P10253 1/20 0.51
LTB4R Q15722 1/20 0.51
ALDH1A1 P00352 4/20 0.50
ALPL P05186 1/20 0.49
HDAC1 Q13547 1/20 0.48
TSHR P16473 1/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL5300760 0.91 ALDH1A1 (0.56) HCAR2MAPTMAPK1GAAALDH1A1
SCHEMBL5306172 0.89 HCAR2 (0.76) HCAR2LTB4R
SCHEMBL5062205 0.87 HCAR2 (0.64) HCAR2LTB4R
SCHEMBL5299672 0.84 HCAR2 (0.53) HCAR2LTB4R
SCHEMBL5306769 0.84 HCAR2 (0.54) HCAR2LTB4R
SCHEMBL14340800 0.83 HCAR2 (0.81) HCAR2GAA
SCHEMBL5293834 0.83 HCAR2 (0.54) HCAR2
SCHEMBL5061223 0.82 KDM4E (0.62) HCAR2LTB4RALDH1A1
SCHEMBL5301758 0.81 HCAR2 (0.52) HCAR2HDAC1
SCHEMBL14609518 0.81 MAPT (0.68) HCAR2MAPTMAPK1ALDH1A1HDAC1

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
WO-2007015744-A1 DISUBSTITUTED THIENYL COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2007-02-08 WO claimed
WO-2007015744-A1 DISUBSTITUTED THIENYL COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2007-02-08 WO disclosed
WO-2007015744-A1 DISUBSTITUTED THIENYL COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2007-02-08 WO disclosed