SCHEMBL2879641

SCHEMBL2879641

COC(=O)Oc1sc(-c2ccccc2)cc1N(C(=O)C1CCC(=O)CC1)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
MAPT P10636 5/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 2/20 0.33
MKNK1 Q9BUB5 1/20 0.33
TP53 P04637 1/20 0.33
CNR2 P34972 1/20 0.33
USP30 Q70CQ3 3/20 0.32
CHRM5 P08912 1/20 0.32
RAB9A P51151 1/20 0.31
PTPN5 P54829 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ADORA3 P0DMS8 1/20 0.31

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
SCHEMBL2877214 0.85 KDM4E (0.50) KDM4EHTTATMMAPTALDH1A1
SCHEMBL2876340 0.85 KDM4E (0.35) KDM4EHTTATMMAPTALDH1A1
SCHEMBL3809123 0.83 NPSR1 (0.40) KDM4EHTTATMMKNK1USP30
SCHEMBL3816814 0.83 KDM4E (0.39) KDM4EHTTATMMAPTALDH1A1
SCHEMBL3809451 0.83 NPSR1 (0.40) KDM4EHTTATMMKNK1USP30
SCHEMBL3807257 0.83 KDM4E (0.39) KDM4EHTTATMMAPTALDH1A1
SCHEMBL3816893 0.82 KDM4E (0.37) KDM4EHTTATMMAPTALDH1A1
SCHEMBL2875207 0.82 KDM4E (0.33) KDM4EHTTATMMAPTALDH1A1
SCHEMBL2876663 0.81 KDM4E (0.38) KDM4EHTTATMMAPTALDH1A1
SCHEMBL3812844 0.80 KDM4E (0.36) KDM4EHTTATMMAPTALDH1A1

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
EP-1569929-B9 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC (CA) 2011-09-14 EP claimed
EP-1569929-B1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC (CA) 2010-05-05 EP claimed