SCHEMBL4377327

SCHEMBL4377327

N=C(N)NCCC[C@@H](N)C(=O)N(O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
ST14 Q9Y5Y6 2/20 0.39
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
SOS1 Q07889 1/20 0.37
MMP1 P03956 3/20 0.36
FFAR1 O14842 1/20 0.35
NR3C1 P04150 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MMP2 P08253 5/20 0.34
MMP9 P14780 3/20 0.34
MMP13 P45452 2/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33

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
SCHEMBL4375791 0.91 MMP2 (0.42) MMP1MMP2MMP9MMP13CA12
SCHEMBL4370906 0.90 SCN9A (0.36) F2PRSS1PRSS2PRSS3ST14
SCHEMBL1799336 0.90 F2 (0.34) F2PRSS1PRSS2PRSS3ST14
SCHEMBL1800832 0.89 F2 (0.37) F2PRSS1PRSS2PRSS3ST14
SCHEMBL4372258 0.85 F2 (0.41) F2PRSS1PRSS2PRSS3ST14
SCHEMBL3874559 0.83 NPY4R (0.36)
SCHEMBL3879230 0.83 MMP2 (0.44) RAB9ASOS1MMP1FFAR1NR3C1
SCHEMBL4375795 0.83 TBXA2R (0.34) PRSS1SOS1CA12CA1CA2
SCHEMBL1799060 0.82 SLC9A3 (0.36) MMP2MMP9MMP14
SCHEMBL4371687 0.82 SMN1; SMN2 (0.36) PRSS1MMP2MMP9MMP13CA12

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