SCHEMBL4372331

SCHEMBL4372331

N=C(N)NCCCC(NS(=O)(=O)c1cc(F)c(Oc2ccc(OCc3ccccc3)cc2)c(F)c1)C(=O)NO

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 8/20 0.58
ADAM10 O14672 7/20 0.58
MMP2 P08253 7/20 0.58
MMP9 P14780 7/20 0.58
MMP14 P50281 5/20 0.58
ADAM8 P78325 4/20 0.57
MMP12 P39900 3/20 0.57
MMP1 P03956 2/20 0.52
ADAMTS4 O75173 1/20 0.52
ADAMTS1 Q9UHI8 1/20 0.52
ADAMTS7 Q9UKP4 1/20 0.52
ADAMTS5 Q9UNA0 1/20 0.52
BMP1 P13497 10/20 0.48
ITGB3 P05106 1/20 0.41
ITGA2B P08514 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
SCHEMBL4293039 0.92 ADAM17 (0.48) ADAM17ADAM10MMP2MMP9MMP14
SCHEMBL3874554 0.89 ADAM17 (0.51) ADAM17ADAM10MMP2MMP9MMP14
SCHEMBL14470899 0.88 ADAM17 (0.50) ADAM17ADAM10MMP2MMP9MMP14
SCHEMBL1799334 0.88 ADAM17 (0.50) ADAM17ADAM10MMP2MMP9MMP14
SCHEMBL1799058 0.88 ADAM17 (0.54) ADAM17ADAM10MMP2MMP9MMP14
SCHEMBL12619375 0.87 ADAM17 (0.49) ADAM17ADAM10MMP2MMP9MMP14
SCHEMBL1800584 0.87 ADAM17 (0.49) ADAM17ADAM10MMP2MMP9MMP14
SCHEMBL4374580 0.84 ADAM17 (0.45) ADAM17ADAM10MMP2MMP9MMP14
SCHEMBL1800730 0.82 ADAM17 (0.44) ADAM17ADAM10MMP2MMP9MMP14
SCHEMBL4371681 0.82 ADAM17 (0.49) ADAM17ADAM10MMP2MMP9MMP14

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