SCHEMBL5307245

SCHEMBL5307245

COC(=O)c1cscc1NC(=O)CCc1ccc(-c2ccccc2OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
LTB4R Q15722 1/20 0.49
HPGD P15428 2/20 0.47
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
MAPK10 P53779 1/20 0.47
HCAR2 Q8TDS4 4/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
BDKRB1 P46663 2/20 0.45
SLC13A5 Q86YT5 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL5306769 0.92 HCAR2 (0.54) KDM4ELTB4RHPGDHCAR2SMN1; SMN2
SCHEMBL5306138 0.91 KDM4E (0.49) KDM4ELTB4RHPGDMAPK8MAPK9
SCHEMBL5370021 0.89 KDM4E (0.47) KDM4ELTB4RMAPK8MAPK9MAPK10
SCHEMBL5356977 0.89 ALDH1A1 (0.48) KDM4ELTB4RHPGDMAPK8MAPK9
SCHEMBL5306657 0.88 LTB4R (0.50) KDM4ELTB4RHPGDMAPK8MAPK9
SCHEMBL5297607 0.88 HCAR2 (0.62) KDM4EHPGDMAPK8MAPK9MAPK10
SCHEMBL5306189 0.88 HCAR2 (0.53) KDM4EHPGDMAPK8MAPK9MAPK10
SCHEMBL5061223 0.87 KDM4E (0.62) KDM4ELTB4RHPGDMAPK8MAPK9
SCHEMBL5301386 0.86 KDM4E (0.50) KDM4ELTB4RMAPK8MAPK9MAPK10
SCHEMBL5292540 0.85 GAA (0.54) KDM4EMAPK8MAPK9MAPK10HCAR2

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