SCHEMBL4374444

SCHEMBL4374444

NCCC[C@@H](NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(F)c1)C(=O)N(O)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.41
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MRGPRX1 Q96LB2 1/20 0.36
CACNA1H O95180 1/20 0.35
CACNA1B Q00975 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
PLAU P00749 1/20 0.35
HPN P05981 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
SCHEMBL4264571 0.78 MAPK1 (0.39) SCN9AMMP2MMP9ALDH1A1
SCHEMBL1796851 0.77 ADAM17 (0.59) MMP2MMP9
SCHEMBL3869082 0.76 MMP2 (0.42) SCN9AMMP2MMP9
SCHEMBL4370904 0.76 ADAM17 (0.51) MMP2MMP9
SCHEMBL4372240 0.73 MMP2 (0.41) SCN9AMMP2MMP9
SCHEMBL1802607 0.71 MMP2 (0.52) SCN9AMMP2MMP9
SCHEMBL1798439 0.71 ADAMTS7 (0.46) SCN9A
SCHEMBL1798436 0.71 ADAMTS7 (0.46) SCN9A
SCHEMBL1798308 0.70 MMP1 (0.49) SCN9AMMP2MMP9ALDH1A1
SCHEMBL1798306 0.70 MMP1 (0.49) SCN9AMMP2MMP9ALDH1A1

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