SCHEMBL1431886

SCHEMBL1431886

CCC(C)[C@@H](NC)C(=O)N[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 5/20 0.49
▸ MAPK14 Q16539 1/20 0.46
▸ PSMB1 P20618 3/20 0.44
▸ F2 P00734 1/20 0.43
▸ CTSL P07711 3/20 0.42
▸ PLG P00747 1/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ PRSS2 P07478 1/20 0.40
▸ PRSS3 P35030 1/20 0.40
▸ MME P08473 1/20 0.40
▸ ACE P12821 1/20 0.40
▸ CPA1 P15085 1/20 0.40
▸ ACE2 Q9BYF1 1/20 0.40
▸ PPARA Q07869 1/20 0.39
▸ KIFC1 Q9BW19 1/20 0.39
▸ FURIN P09958 1/20 0.39
▸ KLKB1 P03952 2/20 0.39
▸ MASP2 O00187 1/20 0.38

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
SCHEMBL1432193 0.90 MAPK14 (0.45) PSMB5MAPK14PSMB1F2CTSL
SCHEMBL1432034 0.87 CTSB (0.43) CTSLKLKB1MASP2
SCHEMBL1432562 0.85 MME (0.43) PSMB5PSMB1MMEACECPA1
SCHEMBL1432022 0.85 MME (0.43) PSMB5PSMB1MMEACECPA1
SCHEMBL1432380 0.85 MAPK14 (0.45) PSMB5MAPK14F2CTSLPLG
SCHEMBL3145343 0.85 MAPK14 (0.45) PSMB5MAPK14F2CTSLPLG
SCHEMBL1432883 0.85 FURIN (0.40) PSMB5MMEACECPA1ACE2
SCHEMBL1432300 0.85 MASP2 (0.40) MMEACECPA1ACE2FURIN
SCHEMBL1431636 0.84 MME (0.43) MMEACECPA1ACE2FURIN
SCHEMBL1432194 0.84 MAPK14 (0.44) PSMB5MAPK14F2CTSLPLG

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-2300428-A1 AMINOPYRIDINE DERIVATIVES Vantia Limited (GB) 2011-03-30 — — EP disclosed
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