SCHEMBL1798842

SCHEMBL1798842

N=C(N)NCCC[C@@H](NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)nc1)C(=O)NO

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 5/20 0.50
MMP2 P08253 5/20 0.50
ADAM10 O14672 4/20 0.50
MMP9 P14780 4/20 0.50
MMP14 P50281 4/20 0.50
ADAM8 P78325 3/20 0.50
MMP12 P39900 2/20 0.50
BMP1 P13497 11/20 0.49
ADAMTS4 O75173 2/20 0.44
MMP1 P03956 2/20 0.44
ADAMTS5 Q9UNA0 2/20 0.44
ADAMTS1 Q9UHI8 1/20 0.44
ADAMTS7 Q9UKP4 1/20 0.44
MMP7 P09237 1/20 0.43
MMP13 P45452 1/20 0.42

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
SCHEMBL1800831 0.91 ADAM17 (0.50) ADAM17MMP2ADAM10MMP9MMP14
SCHEMBL1798723 0.86 ADAM17 (0.49) ADAM17MMP2ADAM10MMP9MMP14
SCHEMBL4372650 0.82 BMP1 (0.51) ADAM17MMP2ADAM10MMP9MMP14
SCHEMBL4375790 0.82 ADAM17 (0.49) ADAM17MMP2ADAM10MMP9MMP14
SCHEMBL1800584 0.82 ADAM17 (0.49) ADAM17MMP2ADAM10MMP9MMP14
SCHEMBL1799177 0.81 BMP1 (0.58) ADAM17MMP2ADAM10MMP9MMP14
SCHEMBL4377322 0.80 ADAM17 (0.56) ADAM17MMP2ADAM10MMP9MMP14
SCHEMBL1798846 0.78 DAGLA (0.38) MMP2MMP14ADAMTS4MMP1ADAMTS5
SCHEMBL3940072 0.75 ADAM17 (0.62) ADAM17MMP2ADAM10MMP9MMP14
SCHEMBL3945454 0.75 ADAM17 (0.62) ADAM17MMP2ADAM10MMP9MMP14

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 5 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
US-7951972-B2 Human adam-10 inhibitors EXELIXIS, INC. (US) 2011-05-31 US disclosed
EP-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP disclosed
EP-1461313-A1 HUMAN ADAM-10 INHIBITORS Exelixis, Inc. (US) 2004-09-29 EP disclosed
WO-2003051825-A1 HUMAN ADAM-10 INHIBITORS EXELIXIS, INC. (US) 2003-06-26 WO disclosed