SCHEMBL5301758

SCHEMBL5301758

N#Cc1ccc(-c2ccc(CCC(=O)Nc3cscc3C(=O)O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 18/20 0.52
CYP2C8 P10632 1/20 0.45
CYP2C9 P11712 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
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
SCHEMBL5306464 0.89 HCAR2 (0.55) HCAR2
SCHEMBL5300871 0.88 KDM4E (0.48) HCAR2HDAC1HDAC6
SCHEMBL5062205 0.87 HCAR2 (0.64) HCAR2CYP2C8CYP2C9KDM6BKDM4D
SCHEMBL5298682 0.84 HCAR2 (0.54) HCAR2CYP2C8CYP2C9KDM6BKDM4D
SCHEMBL5293834 0.83 HCAR2 (0.54) HCAR2CYP2C8CYP2C9KDM6BKDM4D
SCHEMBL5301209 0.81 HCAR2 (0.59) HCAR2HDAC1
SCHEMBL5334252 0.80 HCAR2 (0.49) HCAR2CYP2C8CYP2C9HDAC1HDAC6
SCHEMBL5328705 0.80 KDM6B (0.56) HCAR2CYP2C8CYP2C9KDM6BKDM4D
SCHEMBL5300950 0.79 HCAR2 (0.50) HCAR2HDAC1HDAC6
SCHEMBL14609697 0.79 HCAR2 (0.58) HCAR2CYP2C8CYP2C9

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 2 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