SCHEMBL4372334

SCHEMBL4372334

N=C(N)NCCC[C@H](N)C(=O)N(O)S(=O)(=O)c1cc(F)c(Oc2ccc(OCc3ccccc3)cc2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.40
MMP2 P08253 3/20 0.37
MMP14 P50281 3/20 0.37
ADAM10 O14672 2/20 0.37
MMP9 P14780 2/20 0.37
ADAM17 P78536 2/20 0.37
ALOX5 P09917 1/20 0.37
PTGES O14684 1/20 0.36
EPOR P19235 3/20 0.35
ADAMTS4 O75173 1/20 0.35
MMP13 P45452 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
MMP12 P39900 1/20 0.35
ADAM8 P78325 1/20 0.35

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
SCHEMBL4293042 0.92 LTA4H (0.33) LTA4HMMP2MMP14MMP9EPOR
SCHEMBL3874559 0.89 NPY4R (0.36)
SCHEMBL1799336 0.88 F2 (0.34)
SCHEMBL1799060 0.87 SLC9A3 (0.36) MMP2MMP14ADAM10MMP9ADAM17
SCHEMBL1800587 0.87 SLC9A3 (0.33)
SCHEMBL1800732 0.82 MAP2K1 (0.33)
SCHEMBL4371687 0.82 SMN1; SMN2 (0.36) LTA4HMMP2MMP14MMP9MMP13
SCHEMBL4375791 0.81 MMP2 (0.42) LTA4HMMP2MMP14MMP9ADAM17
SCHEMBL4372331 0.79 ADAM17 (0.58) MMP2MMP14ADAM10MMP9ADAM17
SCHEMBL4370906 0.78 SCN9A (0.36)

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