SCHEMBL5300871

SCHEMBL5300871

COC(=O)c1cscc1NC(=O)CCc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
MAPK8 P45983 2/20 0.44
MAPK10 P53779 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
MAPK9 P45984 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HCAR2 Q8TDS4 5/20 0.41
LTB4R Q15722 1/20 0.41
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ABCB1 P08183 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL5295488 0.90 HCAR2 (0.48) KDM4EMAPK8MAPK10MAPTMAPK9
SCHEMBL5301758 0.88 HCAR2 (0.52) HDAC1HDAC6HCAR2
SCHEMBL5061223 0.86 KDM4E (0.62) KDM4EMAPK8MAPK10MAPK9NPC1
SCHEMBL5300760 0.85 ALDH1A1 (0.56) KDM4EMAPK8MAPK10POLBMAPT
SCHEMBL5300553 0.85 KDM4E (0.49) KDM4EMAPK8MAPK10POLBMAPK9
SCHEMBL5303071 0.84 KDM4E (0.50) KDM4EMAPK8MAPK10MAPK9NPC1
SCHEMBL5302379 0.82 KDM4E (0.54) KDM4EMAPK8MAPK10POLBMAPK9
SCHEMBL5292551 0.81 POLB (0.61) MAPK8MAPK10POLBMAPTMAPK9
SCHEMBL5296892 0.80 HCAR2 (0.67) KDM4EMAPK8MAPK10MAPK9RAB9A
SCHEMBL5301602 0.80 KDM4E (0.50) KDM4EMAPK8MAPK10MAPTMAPK9

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