SCHEMBL1433012

SCHEMBL1433012

Cc1ccc(C[C@H](NC(=O)c2[nH]c(C)cc2C)C(=O)NCc2ccc(N)nc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 7/20 0.57
KLK1 P06870 2/20 0.42
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
CAPN1 P07384 3/20 0.39
MASP2 O00187 3/20 0.39
NFKB1 P19838 1/20 0.39
PSMB5 P28074 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
FURIN P09958 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
SCHEMBL1433580 0.94 KLKB1 (0.65) KLKB1KLK1CAPN1MASP2
SCHEMBL1433306 0.93 KLKB1 (0.55) KLKB1KLK1CTSLCTSSCAPN1
SCHEMBL1433064 0.92 KLKB1 (0.61) KLKB1KLK1CTSLCTSSCAPN1
SCHEMBL1433003 0.91 KLKB1 (0.54) KLKB1KLK1CTSLCTSSCAPN1
SCHEMBL1433464 0.91 KLKB1 (0.60) KLKB1KLK1CTSLCTSSCAPN1
SCHEMBL1432898 0.90 KLKB1 (0.71) KLKB1KLK1
SCHEMBL1432921 0.89 KLKB1 (0.52) KLKB1KLK1MASP2FURIN
SCHEMBL1432988 0.89 KLKB1 (0.52) KLKB1KLK1CAPN1MASP2PSMB5
SCHEMBL1435369 0.88 KLKB1 (0.51) KLKB1KLK1CTSLCAPN1MASP2
SCHEMBL1433449 0.88 KLKB1 (0.57) KLKB1KLK1CTSLCTSS

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