SCHEMBL4372679

SCHEMBL4372679

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.47
MMP9 P14780 5/20 0.47
MMP7 P09237 2/20 0.44
HPGDS O60760 1/20 0.43
MMP1 P03956 4/20 0.42
MMP14 P50281 4/20 0.42
ADAM17 P78536 3/20 0.41
ADAMTS4 O75173 1/20 0.41
ADAMTS1 Q9UHI8 1/20 0.41
ADAMTS7 Q9UKP4 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
ADAM10 O14672 1/20 0.40
MMP12 P39900 1/20 0.40
ADAM8 P78325 1/20 0.40

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
SCHEMBL4372697 0.87 MMP2 (0.46) MMP2MMP9MMP7HPGDSMMP1
SCHEMBL1798298 0.83 ADAM17 (0.41) MMP2MMP9MMP7HPGDSMMP1
SCHEMBL4374878 0.82 MMP7 (0.41) MMP2MMP9MMP7HPGDSMMP1
SCHEMBL1798732 0.82 ADAMTS7 (0.44) MMP2MMP9MMP7HPGDSMMP1
SCHEMBL1798731 0.82 ADAMTS7 (0.44) MMP2MMP9MMP7HPGDSMMP1
SCHEMBL1800984 0.81 ADAM17 (0.40) MMP2MMP9MMP7MMP1MMP14
SCHEMBL4377641 0.80 MMP2 (0.40) MMP2MMP9MMP7HPGDSMMP1
SCHEMBL11989266 0.79 SIRT5 (0.41) MMP2MMP9MMP7HPGDSMMP1
SCHEMBL1802616 0.79 SIRT5 (0.41) MMP2MMP9MMP7HPGDSMMP1
SCHEMBL1798434 0.79 ADAM17 (0.43) MMP2MMP9MMP7MMP1MMP14

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