SCHEMBL5306138

SCHEMBL5306138

CCOc1ccccc1-c1ccc(CCC(=O)Nc2cscc2C(=O)OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
BDKRB1 P46663 4/20 0.47
DHODH Q02127 1/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.46
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
MAPK10 P53779 1/20 0.45
HCAR2 Q8TDS4 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MME P08473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LTB4R Q15722 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
USP2 O75604 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL5329176 0.91 DHODH (0.53) DHODHALDH1A1GAAHCAR2MME
SCHEMBL5307245 0.91 KDM4E (0.52) KDM4EBDKRB1ALDH1A1GAAMAPK8
SCHEMBL5370021 0.87 KDM4E (0.47) KDM4EBDKRB1DHODHALDH1A1GAA
SCHEMBL5306189 0.85 HCAR2 (0.53) KDM4EBDKRB1ALDH1A1MAPK8MAPK9
SCHEMBL5297607 0.85 HCAR2 (0.62) KDM4EBDKRB1ALDH1A1MAPK8MAPK9
SCHEMBL5061223 0.84 KDM4E (0.62) KDM4EALDH1A1MAPK8MAPK9MAPK10
SCHEMBL5301386 0.83 KDM4E (0.50) KDM4EBDKRB1ALDH1A1MAPK8MAPK9
SCHEMBL5306769 0.83 HCAR2 (0.54) KDM4EHCAR2LTB4RHPGD
SCHEMBL5292540 0.82 GAA (0.54) KDM4EBDKRB1ALDH1A1GAAMAPK8
SCHEMBL5300553 0.82 KDM4E (0.49) KDM4EBDKRB1ALDH1A1GAAMAPK8

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 1 patent. 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