SCHEMBL5300869

SCHEMBL5300869

O=C(CCc1ccc(-c2ccccc2F)cc1)Nc1cscc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 17/20 0.62
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.51
MAPKAPK2 P49137 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP2C8 P10632 1/20 0.48
CYP2C9 P11712 1/20 0.48
KDM6B O15054 1/20 0.47
KDM4D Q6B0I6 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
EGLN3 Q9H6Z9 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
SCHEMBL5306189 0.88 HCAR2 (0.53) HCAR2SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL5062205 0.87 HCAR2 (0.64) HCAR2CYP2C8CYP2C9KDM6BKDM4D
SCHEMBL5302935 0.87 HCAR2 (0.76) HCAR2CYP2C8CYP2C9KDM6BKDM4D
SCHEMBL14609869 0.87 HCAR2 (0.57) HCAR2CYP2C8CYP2C9KDM6BKDM4D
SCHEMBL5303726 0.86 GAA (0.56) HCAR2CYP2C8CYP2C9KDM6BKDM4D
SCHEMBL5306769 0.84 HCAR2 (0.54) HCAR2SMN1; SMN2CYP2C8CYP2C9
SCHEMBL5298682 0.84 HCAR2 (0.54) HCAR2SMN1; SMN2RAB9ACYP2C8CYP2C9
SCHEMBL5305006 0.83 DHODH (0.53) HCAR2CYP2C8CYP2C9
SCHEMBL5301194 0.83 RAB9A (0.57) HCAR2NPC1RAB9AMEN1ALDH1A1
SCHEMBL5299504 0.83 HCAR2 (0.53) 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 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