SCHEMBL14040569

SCHEMBL14040569

O=C1C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N1O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
PLG P00747 1/20 0.47
PROC P04070 1/20 0.47
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
F2 P00734 2/20 0.43
PRSS1 P07477 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
LMNA P02545 1/20 0.43
TBXA2R P21731 1/20 0.41

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
SCHEMBL14040501 0.82 MMP2 (0.47) F10KMT2AMMP2MMP9
SCHEMBL5881800 0.82 MMP2 (0.47) F10KMT2AMMP2MMP9
SCHEMBL27470210 0.80 F10 (0.51) F10L3MBTL1PLGPROCALDH1A1
SCHEMBL4756093 0.75 MMP2 (0.50) MMP2MMP9
SCHEMBL12997805 0.73 F10 (0.61) F10PLGPROCKMT2AALDH1A1
SCHEMBL2700592 0.73 F10 (0.61) F10PLGPROCKMT2AALDH1A1
SCHEMBL4703108 0.73 ALDH1A1 (0.48) L3MBTL1KMT2AALDH1A1SMN1; SMN2MMP2
SCHEMBL4703238 0.73 ALDH1A1 (0.48) L3MBTL1KMT2AALDH1A1SMN1; SMN2MMP2
SCHEMBL14040571 0.73 ALDH1A1 (0.48) L3MBTL1KMT2AALDH1A1SMN1; SMN2MMP2
SCHEMBL3683615 0.71 KMT2A (0.69) L3MBTL1KMT2AALDH1A1SMN1; SMN2LMNA

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-1444202-B1 NOVEL METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2008-10-15 EP disclosed