SCHEMBL14878434

SCHEMBL14878434

CN(C)CCS(=O)(=O)N1CCN(S(=O)(=O)c2cc(F)c(Oc3ccc(Cl)cc3)c(F)c2)[C@@H](C(N)=O)C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.36
MMP13 P45452 4/20 0.36
MMP3 P08254 3/20 0.36
MMP9 P14780 3/20 0.36
MMP7 P09237 2/20 0.36
MMP8 P22894 2/20 0.36
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 4/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 2/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
F10 P00742 3/20 0.34
ADAM17 P78536 2/20 0.34
F2 P00734 1/20 0.34

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
SCHEMBL12905479 0.92 ALDH1A1 (0.38) MMP1MMP13MMP3MMP9MMP7
SCHEMBL16507896 0.90 MMP1 (0.41) MMP1MMP13MMP3MMP9MMP7
SCHEMBL778885 0.90 MMP1 (0.49) MMP1MMP13MMP3MMP9MMP7
SCHEMBL14878436 0.89 KMT2A (0.39) MMP1MMP13MMP3MMP9MMP7
SCHEMBL14878440 0.87 ALDH1A1 (0.37) MMP1MMP13MMP3MMP9MMP7
SCHEMBL14878480 0.87 MMP9 (0.47) MMP1MMP13MMP3MMP9MMP7
SCHEMBL14878481 0.86 MMP3 (0.41) MMP1MMP13MMP3MMP9MMP7
SCHEMBL14878433 0.86 ALDH1A1 (0.38) MMP3MMP9MMP8ALDH1A1KMT2A
SCHEMBL14878402 0.86 ITGA4 (0.37) MMP1MMP13MMP3MMP9MMP7
SCHEMBL14878421 0.85 GAA (0.36) MMP13MMP3MMP9MMP8ALDH1A1

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
US-8426415-B2 Human ADAM-10 inhibitors SYMPHONY EVOLUTION, INC. (US) 2013-04-23 US disclosed