SCHEMBL5292540

SCHEMBL5292540

COC(=O)c1cscc1NC(=O)CCc1ccc(-c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
POLB P06746 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
MAPK10 P53779 1/20 0.45
HCAR2 Q8TDS4 8/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
BDKRB1 P46663 3/20 0.44
ALDH1A1 P00352 1/20 0.43
SLC13A5 Q86YT5 1/20 0.42
MME P08473 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
SCHEMBL5303726 0.89 GAA (0.56) GAAPOLBHCAR2SLC13A5MME
SCHEMBL5306189 0.87 HCAR2 (0.53) KDM4EMAPK8MAPK9MAPK10HCAR2
SCHEMBL5370021 0.87 KDM4E (0.47) GAAKDM4EMAPK8MAPK9MAPK10
SCHEMBL5297607 0.85 HCAR2 (0.62) KDM4EMAPK8MAPK9MAPK10HCAR2
SCHEMBL5307245 0.85 KDM4E (0.52) GAAKDM4EMAPK8MAPK9MAPK10
SCHEMBL5061223 0.84 KDM4E (0.62) KDM4EMAPK8MAPK9MAPK10HCAR2
SCHEMBL5301386 0.83 KDM4E (0.50) KDM4EMAPK8MAPK9MAPK10HCAR2
SCHEMBL5306138 0.82 KDM4E (0.49) GAAKDM4EMAPK8MAPK9MAPK10
SCHEMBL5300553 0.82 KDM4E (0.49) GAAPOLBKDM4EMAPK8MAPK9
SCHEMBL5300760 0.79 ALDH1A1 (0.56) GAAPOLBKDM4EMAPK8MAPK9

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