SCHEMBL14959637

SCHEMBL14959637

COCCOC(=O)N1CCN([S+]([O-])c2ccc(C)cc2)[C@@H](C(N)=O)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
GAA P10253 1/20 0.34
MMP2 P08253 5/20 0.33
MMP3 P08254 5/20 0.33
MMP9 P14780 5/20 0.33
MMP8 P22894 5/20 0.33
MMP13 P45452 5/20 0.33
MMP1 P03956 3/20 0.33
MMP7 P09237 2/20 0.33
JAK1 P23458 3/20 0.33
JAK2 O60674 2/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL8542294 0.67 MMP9 (0.56) KMT2AMEN1ALDH1A1RAB9ANPSR1
SCHEMBL4951081 0.67 GAA (0.37) MAPTGAAMMP2MMP3MMP9
SCHEMBL8698469 0.67 ALDH1A1 (0.46) KMT2AALDH1A1MMP2
SCHEMBL328467 0.65 MMP1 (0.50) ALDH1A1MMP2MMP3MMP9MMP8
P-Xylene SCHEMBL11354414 0.62 TSHR (0.50) ALDH1A1RAB9AGAATSHR
SCHEMBL3784376 0.62 ALDH1A1 (0.41) KMT2AALDH1A1MMP2
SCHEMBL3783631 0.62 ALDH1A1 (0.41) KMT2AALDH1A1MMP2
SCHEMBL17560328 0.61 PDK1 (0.41) MAPTTSHR
SCHEMBL12942975 0.60 SLC18A2 (0.34) MAPTGAAMMP2MMP3MMP9
SCHEMBL15934092 0.59 KDM4E (0.47) ALDH1A1MAPTGAATSHR

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
EP-1511488-B1 HUMAN ADAM-10 INHIBITORS SYMPHONY EVOLUTION INC (US) 2013-05-22 EP disclosed