SCHEMBL28217306

SCHEMBL28217306

COC(=O)c1ncsc1C(C)(C)Br

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 4/20 0.36
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RAF1 P04049 1/20 0.35
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 1/20 0.32
STAT3 P40763 1/20 0.32
HIF1A Q16665 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4C Q9H3R0 1/20 0.32

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
SCHEMBL16637048 0.83 NPSR1 (0.41) NPSR1KDM4EMAPK8MAPK9MAPK10
SCHEMBL1450757 0.77 NPSR1 (0.45) NPSR1KDM4EMAPK8MAPK9MAPK10
SCHEMBL860103 0.74 NPSR1 (0.46) NPSR1KDM4EMAPK8MAPK9MAPK10
SCHEMBL23538248 0.74 NPSR1 (0.46) NPSR1KDM4EMAPK8MAPK9MAPK10
SCHEMBL12233262 0.74 NPSR1 (0.46) NPSR1KDM4EMAPK8MAPK9MAPK10
SCHEMBL6338510 0.73 NPSR1 (0.45) NPSR1KDM4EMAPK8MAPK9MAPK10
SCHEMBL9627220 0.73 NPSR1 (0.45) NPSR1KDM4EMAPK8MAPK9MAPK10
SCHEMBL2594859 0.73 NPSR1 (0.45) NPSR1KDM4EMAPK8MAPK9MAPK10
SCHEMBL3709288 0.73 NPSR1 (0.45) NPSR1KDM4EMAPK8MAPK9MAPK10
SCHEMBL23413538 0.73 NPSR1 (0.45) NPSR1KDM4EMAPK8MAPK9MAPK10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108383858-A Treat the derivative of the imidazo thiadiazoles and Imidazopyrazines of platelet aggregation 百时美施贵宝公司 2018-08-10 CN disclosed
CN-104583218-B Imidazothiadiazole and imidazopyrazine derivatives as protease activated receptor 4(PAR4) inhibitors for the treatment of platelet aggregation 百时美施贵宝公司 2018-04-24 CN disclosed