SCHEMBL2877241

SCHEMBL2877241

CC1CCC(C(=O)N(c2cc(-c3ccccc3)sc2OC(=O)O)C2CCCNCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 15/20 0.38
KCNH2 Q12809 6/20 0.38
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
CDK2AP1 O14519 1/20 0.34
CHRM1 P11229 1/20 0.33
SLC6A4 P31645 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
SCHEMBL2871147 0.96 KDM4E (0.36) CHEK1KCNH2KDM4EHTTATM
SCHEMBL3809138 0.90 OPRM1 (0.38) CHEK1KDM4EHTTATM
SCHEMBL2870899 0.90 KDM4E (0.38) CHEK1KCNH2KDM4EHTTATM
SCHEMBL2877238 0.88 NR1I2 (0.41) CHEK1KCNH2KDM4EHTTATM
SCHEMBL2871201 0.87 KDM4E (0.35) KDM4EHTTATM
SCHEMBL2874208 0.86 KDM4E (0.38) KDM4EHTTATM
SCHEMBL2879323 0.86 KDM4E (0.38) KDM4EHTTATM
SCHEMBL2877206 0.86 KDM4E (0.38) KDM4EHTTATM
SCHEMBL2874240 0.86 KDM4E (0.38) KDM4EHTTATM
SCHEMBL2877430 0.85 KDM4E (0.37) KDM4EHTTATM

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