SCHEMBL4371687

SCHEMBL4371687

N=C(N)NCCC[C@@H](N)C(=O)N(O)S(=O)(=O)c1ccc(Oc2ccccc2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
CA2 P00918 5/20 0.36
CA4 P22748 1/20 0.36
SCN9A Q15858 4/20 0.35
MMP2 P08253 6/20 0.34
MMP9 P14780 3/20 0.34
MMP14 P50281 3/20 0.34
MMP3 P08254 2/20 0.34
MMP7 P09237 2/20 0.34
MMP13 P45452 2/20 0.34
PRSS1 P07477 2/20 0.34
TMPRSS15 P98073 2/20 0.34
CA12 O43570 4/20 0.34
CA1 P00915 4/20 0.34
CA9 Q16790 4/20 0.34
MMP12 P39900 1/20 0.34
EGLN2 Q96KS0 1/20 0.33
PTPN1 P18031 1/20 0.33
LTA4H P09960 1/20 0.33
KCNQ3 O43525 1/20 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
SCHEMBL4370906 0.93 SCN9A (0.36) CA2SCN9APRSS1TMPRSS15CA12
SCHEMBL4375795 0.91 TBXA2R (0.34) CA2SCN9APRSS1TMPRSS15CA12
SCHEMBL1804010 0.90 CARM1 (0.35) CA2PRSS1TMPRSS15CA12CA1
SCHEMBL4293042 0.89 LTA4H (0.33) CA2CA4MMP2MMP9MMP14
SCHEMBL4372245 0.89 TBXA2R (0.39) SCN9AEGLN2
SCHEMBL4375791 0.87 MMP2 (0.42) CA2MMP2MMP9MMP14MMP3
SCHEMBL4377327 0.82 F2 (0.39) SMN1; SMN2CA2MMP2MMP9MMP14
SCHEMBL1799336 0.82 F2 (0.34) CA2PRSS1CA12CA1CA9
SCHEMBL4372334 0.82 LTA4H (0.40) MMP2MMP9MMP14MMP13MMP12
SCHEMBL3874559 0.81 NPY4R (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 1 patent. 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