SCHEMBL4377599

SCHEMBL4377599

NCCC[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N(O)/C(N)=N\[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.46
MMP9 P14780 9/20 0.46
MMP13 P45452 7/20 0.43
MMP3 P08254 5/20 0.43
ITGB3 P05106 4/20 0.40
ITGA2B P08514 4/20 0.40
MMP14 P50281 4/20 0.40
MMP7 P09237 2/20 0.40
MMP12 P39900 1/20 0.40
MMP1 P03956 3/20 0.39
ADAMTS4 O75173 2/20 0.39
MEP1B Q16820 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
TARS1 P26639 1/20 0.37

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
SCHEMBL4374481 0.83 MMP2 (0.50) MMP2MMP9MMP13MMP3ITGB3
SCHEMBL4377921 0.78 MMP2 (0.38) MMP2MMP9MMP13MMP3MMP14
SCHEMBL1800122 0.77 MMP2 (0.65) MMP2MMP9MMP13MMP3ITGB3
SCHEMBL1800259 0.76 HPGDS (0.39) MMP2MMP9MMP13MMP3MMP14
SCHEMBL1799131 0.74 BMP1 (0.54) MMP2MMP9MMP13MMP3MMP14
SCHEMBL4374349 0.74 MMP2 (0.46) MMP2MMP9MMP13MMP3ITGB3
SCHEMBL1800019 0.73 MMP2 (0.62) MMP2MMP9MMP13MMP3MMP14
SCHEMBL4374166 0.73 MMP2 (0.45) MMP2MMP9MMP13MMP3ITGB3
SCHEMBL3718689 0.73 MMP2 (0.53) MMP2MMP9MMP13MMP3ITGB3
SCHEMBL4371607 0.72 MMP2 (0.44) MMP2MMP9MMP13MMP3ITGB3

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