SCHEMBL1434232

SCHEMBL1434232

Cc1cc(C)c(C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)NCc2ccc(N)nc2C)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.51
KLKB1 P03952 1/20 0.50
CTSL P07711 15/20 0.47
CTSS P25774 15/20 0.47
CTSV O60911 14/20 0.47
CTSK P43235 12/20 0.47
CTSB P07858 9/20 0.47
MASP2 O00187 1/20 0.42

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
SCHEMBL1434709 0.89 F2 (0.51) F2KLKB1CTSBMASP2
SCHEMBL1433111 0.88 F2 (0.53) F2KLKB1CTSLMASP2
SCHEMBL1434049 0.87 KLKB1 (0.47) F2KLKB1MASP2
SCHEMBL1433449 0.86 KLKB1 (0.57) KLKB1CTSLCTSSCTSVCTSK
SCHEMBL1433554 0.84 PYGL (0.52) F2CTSLCTSSCTSVCTSK
SCHEMBL1434273 0.84 F2 (0.50) F2KLKB1CTSSCTSKMASP2
SCHEMBL1434012 0.80 PYGL (0.52) F2CTSLCTSS
SCHEMBL1434507 0.80 TACR1 (0.53) KLKB1CTSL
SCHEMBL3157747 0.79 F2 (0.59) F2KLKB1MASP2
SCHEMBL3149506 0.79 F2 (0.59) F2KLKB1MASP2

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