SCHEMBL1901348

SCHEMBL1901348

Nc1ccc(CNC(=O)[C@H](Cc2ccc(F)c(F)c2)NC(=O)[C@H](O)Cc2ccc(Cl)cc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 6/20 0.42
PDPK1 O15530 1/20 0.41
PSMB5 P28074 2/20 0.40
PSMB1 P20618 1/20 0.40
PSMB2 P49721 1/20 0.40
KLK1 P06870 3/20 0.39
NAMPT P43490 2/20 0.39
FURIN P09958 1/20 0.38
EPHX2 P34913 1/20 0.37
MASP2 O00187 1/20 0.37
WDR5 P61964 1/20 0.36
KMT2A Q03164 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
HDAC1 Q13547 1/20 0.36
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35

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
SCHEMBL1901351 1.00 KLKB1 (0.42) KLKB1PDPK1PSMB5PSMB1PSMB2
SCHEMBL1903988 0.93 NAMPT (0.46) KLKB1PDPK1PSMB5PSMB1PSMB2
SCHEMBL1905072 0.93 NAMPT (0.46) KLKB1PDPK1PSMB5PSMB1PSMB2
SCHEMBL1901814 0.93 KLKB1 (0.49) KLKB1PDPK1PSMB5PSMB1PSMB2
SCHEMBL1901817 0.93 KLKB1 (0.49) KLKB1PDPK1PSMB5PSMB1PSMB2
SCHEMBL1904483 0.91 NAMPT (0.45) KLKB1KLK1NAMPTFURINMASP2
SCHEMBL1904480 0.91 NAMPT (0.45) KLKB1KLK1NAMPTFURINMASP2
SCHEMBL1903414 0.90 EPHX2 (0.47) KLKB1PDPK1PSMB5PSMB1PSMB2
SCHEMBL1903704 0.90 PDPK1 (0.48) KLKB1PDPK1PSMB5PSMB1PSMB2
SCHEMBL1903701 0.90 PDPK1 (0.48) KLKB1PDPK1PSMB5PSMB1PSMB2

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
WO-2011051671-A1 AMINOPYRIDINE DERIVATIVES AS KALLIKREIN INHIBITORS VANTIA LIMITED (GB) 2011-05-05 WO claimed