SCHEMBL5241162

SCHEMBL5241162

CC1(CS(=O)(=O)N2CC=C(C#Cc3cnc(C(F)(F)F)nc3)CC2)NC(=O)NC1=O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.46
MMP14 P50281 11/20 0.46
MMP12 P39900 3/20 0.43
KCNH2 Q12809 2/20 0.43

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
SCHEMBL2293088 1.00 MMP13 (0.46) MMP13MMP14MMP12KCNH2
SCHEMBL5241113 0.89 MMP13 (0.43) MMP13MMP14MMP12
SCHEMBL2289321 0.89 MMP13 (0.43) MMP13MMP14MMP12
SCHEMBL5249501 0.89 MMP13 (0.46) MMP13MMP14MMP12KCNH2
SCHEMBL5097080 0.89 MMP13 (0.46) MMP13MMP14MMP12KCNH2
SCHEMBL5237716 0.87 MMP13 (0.44) MMP13MMP14MMP12
SCHEMBL2287069 0.87 MMP13 (0.44) MMP13MMP14MMP12
SCHEMBL4781756 0.87 MMP13 (0.44) MMP13MMP14MMP12
SCHEMBL2289892 0.87 MMP13 (0.44) MMP13MMP14MMP12
SCHEMBL3647385 0.86 MMP13 (0.42) MMP13MMP14MMP12

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-1778673-A1 NOVEL HYDANTOIN DERIVATIVES FOR THE TREATMENT OF OBSTRUCTIVE AIRWAY DISEASES AstraZeneca AB (SE) 2007-05-02 EP disclosed
WO-2006004532-A1 NOVEL HYDANTOIN DERIVATIVES FOR THE TREATMENT OF OBSTRUCTIVE AIRWAY DISEASES ASTRAZENECA AB (SE) 2006-01-12 WO disclosed