SCHEMBL14878465

SCHEMBL14878465

COCCOC(=O)N1CCN(S(=O)(=O)c2ccc(Oc3ccc(C#N)cc3)c(F)c2)[C@@H](C(N)=O)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 8/20 0.41
MMP13 P45452 8/20 0.41
MMP1 P03956 8/20 0.41
MMP3 P08254 8/20 0.41
MMP7 P09237 6/20 0.41
ADAM17 P78536 2/20 0.39
MMP8 P22894 3/20 0.37
MMP2 P08253 1/20 0.37
MAPT P10636 1/20 0.36
KDM1A O60341 2/20 0.36
KCNH2 Q12809 1/20 0.36
FKBP1A P62942 1/20 0.36
FKBP5 Q13451 1/20 0.36
SLC6A9 P48067 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
USP30 Q70CQ3 1/20 0.35
JAK1 P23458 1/20 0.35

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
SCHEMBL12905351 0.92 MMP1 (0.40) MMP9MMP13MMP1MMP3MMP7
SCHEMBL14878466 0.91 MMP1 (0.44) MMP9MMP13MMP1MMP3MMP7
SCHEMBL767275 0.91 MMP1 (0.53) MMP9MMP13MMP1MMP3MMP7
SCHEMBL14878464 0.90 MMP9 (0.43) MMP9MMP13MMP1MMP3MMP7
SCHEMBL12905352 0.83 MMP1 (0.43) MMP9MMP13MMP1MMP3MMP7
SCHEMBL12905350 0.82 MMP9 (0.42) MMP9MMP13MMP1MMP3MMP7
SCHEMBL14878454 0.82 MMP3 (0.48) MMP9MMP13MMP1MMP3MMP7
SCHEMBL778778 0.82 MMP1 (0.56) MMP9MMP13MMP1MMP3MMP7
SCHEMBL328467 0.82 MMP1 (0.50) MMP9MMP13MMP1MMP3MMP7
SCHEMBL14878456 0.81 MMP1 (0.43) MMP9MMP13MMP1MMP3MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1511488-B1 HUMAN ADAM-10 INHIBITORS SYMPHONY EVOLUTION INC (US) 2013-05-22 EP disclosed
US-8426415-B2 Human ADAM-10 inhibitors SYMPHONY EVOLUTION, INC. (US) 2013-04-23 US disclosed
EP-2436676-A1 Human adam-10 inhibitors Symphony Evolution, Inc. (US) 2012-04-04 EP disclosed