SCHEMBL4372650

SCHEMBL4372650

N=C(N)NCCC[C@@H](NS(=O)(=O)c1ccc(Oc2cccc3ccccc23)nc1)C(=O)NO

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 10/20 0.51
ADAM17 P78536 7/20 0.44
MMP2 P08253 7/20 0.44
MMP9 P14780 7/20 0.44
MMP14 P50281 6/20 0.44
ADAM10 O14672 5/20 0.44
ADAM8 P78325 4/20 0.44
MMP12 P39900 3/20 0.44
MMP7 P09237 1/20 0.41
MMP1 P03956 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

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 0.84 ADAM17 (0.50) BMP1ADAM17MMP2MMP9MMP14
SCHEMBL1798842 0.82 ADAM17 (0.50) BMP1ADAM17MMP2MMP9MMP14
SCHEMBL4375889 0.79 MAPK8 (0.35) BMP1MMP2MMP14MMP1ADAMTS4
SCHEMBL1798723 0.79 ADAM17 (0.49) BMP1ADAM17MMP2MMP9MMP14
SCHEMBL1799177 0.77 BMP1 (0.58) BMP1ADAM17MMP2MMP9MMP14
SCHEMBL4372697 0.76 MMP2 (0.46) BMP1ADAM17MMP2MMP9MMP14
SCHEMBL4377322 0.74 ADAM17 (0.56) BMP1ADAM17MMP2MMP9MMP14
SCHEMBL4374580 0.74 ADAM17 (0.45) BMP1ADAM17MMP2MMP9MMP14
SCHEMBL4371681 0.73 ADAM17 (0.49) BMP1ADAM17MMP2MMP9MMP14
SCHEMBL4370904 0.71 ADAM17 (0.51) BMP1ADAM17MMP2MMP9MMP14

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