SCHEMBL1433003

SCHEMBL1433003

Cc1cc(C)c(C(=O)N[C@@H](Cc2ccc(C(C)(C)C)cc2)C(=O)NCc2ccc(N)nc2)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 7/20 0.54
KLK1 P06870 2/20 0.40
FURIN P09958 1/20 0.39
CAPN1 P07384 1/20 0.37
CTSL P07711 2/20 0.37
EPHX2 P34913 1/20 0.37
CTSS P25774 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
MASP2 O00187 3/20 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
SCHEMBL1433012 0.91 KLKB1 (0.57) KLKB1KLK1FURINCAPN1CTSL
SCHEMBL1433580 0.90 KLKB1 (0.65) KLKB1KLK1CAPN1MASP2
SCHEMBL1433306 0.89 KLKB1 (0.55) KLKB1KLK1CAPN1CTSLCTSS
SCHEMBL1433064 0.89 KLKB1 (0.61) KLKB1KLK1CAPN1CTSLCTSS
SCHEMBL1433464 0.88 KLKB1 (0.60) KLKB1KLK1CAPN1CTSLCTSS
SCHEMBL1432898 0.87 KLKB1 (0.71) KLKB1KLK1
SCHEMBL1432988 0.86 KLKB1 (0.52) KLKB1KLK1FURINCAPN1MASP2
SCHEMBL1432921 0.86 KLKB1 (0.52) KLKB1KLK1FURINMASP2
SCHEMBL1432955 0.86 KLKB1 (0.54) KLKB1KLK1CTSLCTSSMASP2
SCHEMBL1435369 0.85 KLKB1 (0.51) KLKB1KLK1FURINCAPN1CTSL

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