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
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