SCHEMBL5301386

SCHEMBL5301386

COC(=O)c1cscc1NC(=O)CCc1ccc(-c2ccccc2SC)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
MAPK10 P53779 1/20 0.46
BDKRB1 P46663 7/20 0.46
HCAR2 Q8TDS4 6/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LTB4R Q15722 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL5307245 0.86 KDM4E (0.52) KDM4EMAPK8MAPK9MAPK10BDKRB1
SCHEMBL5306189 0.86 HCAR2 (0.53) KDM4EMAPK8MAPK9MAPK10BDKRB1
SCHEMBL5297607 0.86 HCAR2 (0.62) KDM4EMAPK8MAPK9MAPK10BDKRB1
SCHEMBL5061223 0.85 KDM4E (0.62) KDM4EMAPK8MAPK9MAPK10HCAR2
SCHEMBL5300553 0.83 KDM4E (0.49) KDM4EMAPK8MAPK9MAPK10BDKRB1
SCHEMBL5292540 0.83 GAA (0.54) KDM4EMAPK8MAPK9MAPK10BDKRB1
SCHEMBL5306138 0.83 KDM4E (0.49) KDM4EMAPK8MAPK9MAPK10BDKRB1
SCHEMBL5370021 0.82 KDM4E (0.47) KDM4EMAPK8MAPK9MAPK10BDKRB1
SCHEMBL5300760 0.80 ALDH1A1 (0.56) KDM4EMAPK8MAPK9MAPK10HCAR2
SCHEMBL14609699 0.80 HCAR2 (0.64) KDM4EMAPK8MAPK9MAPK10BDKRB1

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