SCHEMBL5299504

SCHEMBL5299504

CS(=O)(=O)c1ccccc1-c1ccc(CCC(=O)Nc2cscc2C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 18/20 0.53
ALDH1A1 P00352 1/20 0.46
CYP2C8 P10632 1/20 0.45
CYP2C9 P11712 1/20 0.45
KDM6B O15054 1/20 0.44
KDM4D Q6B0I6 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
EGLN3 Q9H6Z9 1/20 0.44

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
SCHEMBL5062205 0.83 HCAR2 (0.64) HCAR2CYP2C8CYP2C9KDM6BKDM4D
SCHEMBL5300869 0.83 HCAR2 (0.62) HCAR2ALDH1A1CYP2C8CYP2C9KDM6B
SCHEMBL5302935 0.83 HCAR2 (0.76) HCAR2CYP2C8CYP2C9KDM6BKDM4D
SCHEMBL14609869 0.83 HCAR2 (0.57) HCAR2CYP2C8CYP2C9KDM6BKDM4D
SCHEMBL5306769 0.82 HCAR2 (0.54) HCAR2CYP2C8CYP2C9
SCHEMBL5329176 0.81 DHODH (0.53) HCAR2ALDH1A1CYP2C8CYP2C9
SCHEMBL5294627 0.81 HCAR2 (0.55) HCAR2CYP2C8CYP2C9
SCHEMBL5298682 0.80 HCAR2 (0.54) HCAR2CYP2C8CYP2C9KDM6BKDM4D
SCHEMBL5303726 0.80 GAA (0.56) HCAR2CYP2C8CYP2C9KDM6BKDM4D
SCHEMBL5301194 0.80 RAB9A (0.57) HCAR2ALDH1A1CYP2C8CYP2C9KDM6B

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