SCHEMBL9923878

SCHEMBL9923878

CC1COc2cccc(Oc3ccc(N4C(=O)N[C@](C)(I)C4=O)cn3)c2C1C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MCOLN3 Q8TDD5 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
SCHEMBL9923906 0.85 MMP13 (0.32) MMP13KDM4EMCOLN3
SCHEMBL15303190 0.78 KDM4E (0.31) MMP13KDM4EMCOLN3
SCHEMBL22670005 0.78 KDM4E (0.31) MMP13KDM4EMCOLN3
SCHEMBL9923868 0.78 AR (0.39) MMP13KDM4EMCOLN3
SCHEMBL9900799 0.76 AR (0.39) MMP13KDM4EMCOLN3
SCHEMBL9923887 0.75 AR (0.38) MMP13KDM4EMCOLN3
SCHEMBL15303582 0.73 MMP13 (0.31) MMP13
SCHEMBL20906300 0.72 AR (0.39) MMP13KDM4EMCOLN3
SCHEMBL30939546 0.72 AR (0.42) MMP13KDM4EMCOLN3
SCHEMBL9901069 0.72 AR (0.42) MMP13KDM4EMCOLN3

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-2012076877-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2012-06-14 WO disclosed