SCHEMBL4372697

SCHEMBL4372697

N=C(N)NCCC[C@@H](NS(=O)(=O)c1ccc(-c2cccc(F)c2)nc1)C(=O)NO

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.46
MMP9 P14780 8/20 0.46
ADAM17 P78536 7/20 0.46
MMP14 P50281 7/20 0.46
ADAM10 O14672 5/20 0.46
ADAM8 P78325 4/20 0.46
MMP12 P39900 3/20 0.46
MMP1 P03956 4/20 0.46
ADAMTS4 O75173 1/20 0.46
ADAMTS1 Q9UHI8 1/20 0.46
ADAMTS7 Q9UKP4 1/20 0.46
ADAMTS5 Q9UNA0 1/20 0.46
MMP7 P09237 1/20 0.45
HPGDS O60760 1/20 0.42
BMP1 P13497 4/20 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
SCHEMBL4372679 0.87 MMP2 (0.47) MMP2MMP9ADAM17MMP14ADAM10
SCHEMBL1798298 0.85 ADAM17 (0.41) MMP2MMP9ADAM17MMP14ADAM10
SCHEMBL4374878 0.82 MMP7 (0.41) MMP2MMP9ADAM17MMP14ADAM10
SCHEMBL1800984 0.80 ADAM17 (0.40) MMP2MMP9ADAM17MMP14ADAM10
SCHEMBL1800831 0.79 ADAM17 (0.50) MMP2MMP9ADAM17MMP14ADAM10
SCHEMBL4542075 0.79 HPGDS (0.42) HPGDS
SCHEMBL4372704 0.79 HPGDS (0.41) HPGDS
SCHEMBL1802616 0.79 SIRT5 (0.41) MMP2MMP9ADAM17MMP14ADAM10
SCHEMBL11989266 0.79 SIRT5 (0.41) MMP2MMP9ADAM17MMP14ADAM10
SCHEMBL1798434 0.79 ADAM17 (0.43) MMP2MMP9ADAM17MMP14ADAM10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP claimed
EP-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP disclosed