SCHEMBL5295488

SCHEMBL5295488

COC(=O)c1cscc1NC(=O)CCc1ccc(-c2cccc(C#N)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 10/20 0.48
KDM4E B2RXH2 1/20 0.46
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
MAPK10 P53779 1/20 0.45
LTB4R Q15722 1/20 0.44
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
MME P08473 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PLAU P00749 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 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
SCHEMBL5300871 0.90 KDM4E (0.48) HCAR2KDM4EMAPK8MAPK9MAPK10
SCHEMBL5306464 0.89 HCAR2 (0.55) HCAR2LTB4RMMP12MMP13MME
SCHEMBL5061223 0.86 KDM4E (0.62) HCAR2KDM4EMAPK8MAPK9MAPK10
SCHEMBL5296892 0.85 HCAR2 (0.67) HCAR2KDM4EMAPK8MAPK9MAPK10
SCHEMBL5293254 0.83 MAPK8 (0.53) HCAR2MAPK8MAPK9MAPK10NPC1
SCHEMBL5300553 0.82 KDM4E (0.49) HCAR2KDM4EMAPK8MAPK9MAPK10
SCHEMBL5300760 0.80 ALDH1A1 (0.56) HCAR2KDM4EMAPK8MAPK9MAPK10
SCHEMBL5303071 0.79 KDM4E (0.50) HCAR2KDM4EMAPK8MAPK9MAPK10
SCHEMBL5301602 0.79 KDM4E (0.50) HCAR2KDM4EMAPK8MAPK9MAPK10
SCHEMBL5301758 0.78 HCAR2 (0.52) HCAR2

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