SCHEMBL8112071

SCHEMBL8112071

N/C(=N/[N+](=O)[O-])NCCC[C@@H](NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1)C(=O)NCc1cc(Cl)c(N)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 4/20 0.39
▸ ADAM17 P78536 4/20 0.39
▸ ADAM10 O14672 3/20 0.39
▸ MMP9 P14780 3/20 0.39
▸ ADAM8 P78325 3/20 0.39
▸ MMP12 P39900 2/20 0.39
▸ MMP14 P50281 2/20 0.39
▸ CCR10 P46092 6/20 0.37
▸ BMP1 P13497 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ADAMTS4 O75173 1/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ ADAMTS1 Q9UHI8 1/20 0.34
▸ ADAMTS7 Q9UKP4 1/20 0.34
▸ ADAMTS5 Q9UNA0 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34

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
SCHEMBL8118999 0.92 NPY1R (0.42) MMP2ADAM17ADAM10MMP9ADAM8
SCHEMBL8115000 0.88 RAB9A (0.43) MMP2MMP9MMP12MMP14CCR10
SCHEMBL8114996 0.88 RAB9A (0.43) MMP2MMP9MMP12MMP14CCR10
SCHEMBL8128197 0.85 MMP2 (0.40) MMP2ADAM17ADAM10MMP9ADAM8
SCHEMBL8112352 0.84 NOS1 (0.40) MMP2ADAM17
SCHEMBL8112361 0.82 MC4R (0.34) ADAM17
SCHEMBL8126777 0.81 PADI6 (0.48) —
SCHEMBL8126524 0.81 MC4R (0.35) —
SCHEMBL8126529 0.81 MC4R (0.35) —
SCHEMBL9284142 0.81 PADI6 (0.42) —

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-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 — — EP disclosed
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